N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine

C18H37N — CID 123283209

IUPACN,3,6,9-tetramethyl-5-propylundec-7-en-1-amine
SMILESCCCC(CC(C)CCNC)C(C)C=CC(C)CC
InChIInChI=1S/C18H37N/c1-7-9-18(14-16(4)12-13-19-6)17(5)11-10-15(3)8-2/h10-11,15-19H,7-9,12-14H2,1-6H3
InChIKeyXYUNLGPHAQXUEF-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.28
Rot. Bonds11

About N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine

N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine (PubChem CID 123283209) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine.

Molecular Properties

Compound NameN,3,6,9-tetramethyl-5-propylundec-7-en-1-amine
PubChem CID123283209
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN,3,6,9-tetramethyl-5-propylundec-7-en-1-amine
SMILESCCCC(CC(C)CCNC)C(C)C=CC(C)CC
InChIInChI=1S/C18H37N/c1-7-9-18(14-16(4)12-13-19-6)17(5)11-10-15(3)8-2/h10-11,15-19H,7-9,12-14H2,1-6H3
InChIKeyXYUNLGPHAQXUEF-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
(E)-N-methyloctadec-9-en-1-amine
CID 19097637
(Z)-N-methyloctadec-9-en-1-amine
CID 59554700
7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
CID 91313559
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
CID 123484686

Frequently Asked Questions

What is the IUPAC name of N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine?
The IUPAC name of N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine (CID 123283209) is N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine.
What is the SMILES notation for N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine?
The canonical SMILES for N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine is CCCC(CC(C)CCNC)C(C)C=CC(C)CC.
What is the InChIKey of N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine?
The InChIKey is XYUNLGPHAQXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-7-9-18(14-16(4)12-13-19-6)17(5)11-10-15(3)8-2/h10-11,15-19H,7-9,12-14H2,1-6H3.
What are the key properties of N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine?
N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.28, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6,9-tetramethyl-5-propylundec-7-en-1-amine is sourced from PubChem (CID 123283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).