N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine

C15H32N2 — CID 156713243

IUPACN-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
SMILESC=CCCC(C)C(=C)NCCC.CCCNC
InChIInChI=1S/C11H21N.C4H11N/c1-5-7-8-10(3)11(4)12-9-6-2;1-3-4-5-2/h5,10,12H,1,4,6-9H2,2-3H3;5H,3-4H2,1-2H3
InChIKeyFACHPSLFWXDCKL-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.72
Rot. Bonds9

About N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine

N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine (PubChem CID 156713243) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine.

Molecular Properties

Compound NameN-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
PubChem CID156713243
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
SMILESC=CCCC(C)C(=C)NCCC.CCCNC
InChIInChI=1S/C11H21N.C4H11N/c1-5-7-8-10(3)11(4)12-9-6-2;1-3-4-5-2/h5,10,12H,1,4,6-9H2,2-3H3;5H,3-4H2,1-2H3
InChIKeyFACHPSLFWXDCKL-UHFFFAOYSA-N
XLogP3.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylamino-6-methylhepten
CID 23616912
4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
N'-fluoro-N'-[2-(4-methylpent-1-en-2-ylamino)ethyl]-N-(4-methylpentyl)ethane-1,2-diamine
CID 139472312
2-methyl-N-prop-2-enylhex-5-en-1-amine
CID 11228913
N-but-3-enyl-2-methylhex-5-en-1-amine
CID 11367216
6-fluoro-6-methyl-N-pent-4-en-2-ylhept-1-en-2-amine
CID 142558436
Methyl(2-methylhex-5-en-1-yl)amine
CID 17825002
N-ethyl-2-methylhept-6-en-1-amine
CID 17825107
N-butyl-3-methylpent-1-en-2-amine
CID 18717521
4-methyl-N-prop-1-en-2-ylpentan-1-amine
CID 59663941
N-but-3-enyl-4-methylpentan-1-amine
CID 64315354
2-methyl-N-propylhex-5-en-1-amine
CID 64664558

Frequently Asked Questions

What is the IUPAC name of N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine?
The IUPAC name of N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine (CID 156713243) is N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine.
What is the SMILES notation for N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine?
The canonical SMILES for N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine is C=CCCC(C)C(=C)NCCC.CCCNC.
What is the InChIKey of N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine?
The InChIKey is FACHPSLFWXDCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C4H11N/c1-5-7-8-10(3)11(4)12-9-6-2;1-3-4-5-2/h5,10,12H,1,4,6-9H2,2-3H3;5H,3-4H2,1-2H3.
What are the key properties of N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine?
N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine is sourced from PubChem (CID 156713243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).