ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane

C48H100N4 — CID 142403311

IUPACethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane
SMILESC=C(C)C.C=C(CCCC(=C)NCCCCCCC)NCCC.C=CN.CCCCCCCCCCCC1CCC(C)(C)C1C.CCCNCCC
InChIInChI=1S/C19H38.C17H34N2.C6H15N.C4H8.C2H5N/c1-5-6-7-8-9-10-11-12-13-14-18-15-16-19(3,4)17(18)2;1-5-7-8-9-10-15-19-17(4)13-11-12-16(3)18-14-6-2;1-3-5-7-6-4-2;1-4(2)3;1-2-3/h17-18H,5-16H2,1-4H3;18-19H,3-15H2,1-2H3;7H,3-6H2,1-2H3;1H2,2-3H3;2H,1,3H2
InChIKeyIETYGHMVBGKPIN-UHFFFAOYSA-N
MW733.36 g/mol
LogP14.79
Rot. Bonds28

About ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane

ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane (PubChem CID 142403311) has the molecular formula C48H100N4 and a molecular weight of 733.36 g/mol. Its IUPAC name is ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane.

Molecular Properties

Compound Nameethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane
PubChem CID142403311
Molecular FormulaC48H100N4
Molecular Weight733.36 g/mol
Exact Mass732.79
IUPAC Nameethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane
SMILESC=C(C)C.C=C(CCCC(=C)NCCCCCCC)NCCC.C=CN.CCCCCCCCCCCC1CCC(C)(C)C1C.CCCNCCC
InChIInChI=1S/C19H38.C17H34N2.C6H15N.C4H8.C2H5N/c1-5-6-7-8-9-10-11-12-13-14-18-15-16-19(3,4)17(18)2;1-5-7-8-9-10-15-19-17(4)13-11-12-16(3)18-14-6-2;1-3-5-7-6-4-2;1-4(2)3;1-2-3/h17-18H,5-16H2,1-4H3;18-19H,3-15H2,1-2H3;7H,3-6H2,1-2H3;1H2,2-3H3;2H,1,3H2
InChIKeyIETYGHMVBGKPIN-UHFFFAOYSA-N
XLogP14.79
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.36
LogP ≤ 514.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane with MolForge

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Related Compounds

ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296
N-hexyloct-1-en-2-amine
CID 169110016
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
CID 134334707
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
N-butylhept-1-en-2-amine
CID 170620308
5-[1-(2-heptylcyclobutyl)ethenyl]-N-propyldodecan-1-amine
CID 167305105
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
1-N,1-N-dicyclohexyl-3-N-hexylbut-3-ene-1,3-diamine
CID 167073405
N-[1-(3-ethenyl-4-methyl-2-bicyclo[2.1.0]pentanyl)ethenyl]heptan-1-amine
CID 146388923
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001

Frequently Asked Questions

What is the IUPAC name of ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane?
The IUPAC name of ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane (CID 142403311) is ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane.
What is the SMILES notation for ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane?
The canonical SMILES for ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane is C=C(C)C.C=C(CCCC(=C)NCCCCCCC)NCCC.C=CN.CCCCCCCCCCCC1CCC(C)(C)C1C.CCCNCCC.
What is the InChIKey of ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane?
The InChIKey is IETYGHMVBGKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38.C17H34N2.C6H15N.C4H8.C2H5N/c1-5-6-7-8-9-10-11-12-13-14-18-15-16-19(3,4)17(18)2;1-5-7-8-9-10-15-19-17(4)13-11-12-16(3)18-14-6-2;1-3-5-7-6-4-2;1-4(2)3;1-2-3/h17-18H,5-16H2,1-4H3;18-19H,3-15H2,1-2H3;7H,3-6H2,1-2H3;1H2,2-3H3;2H,1,3H2.
What are the key properties of ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane?
ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane has a molecular weight of 733.36 g/mol, XLogP of 14.79, 28 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;6-N-heptyl-2-N-propylhepta-1,6-diene-2,6-diamine;2-methylprop-1-ene;N-propylpropan-1-amine;1,1,2-trimethyl-3-undecylcyclopentane is sourced from PubChem (CID 142403311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).