1-(2-methylcyclopropyl)-N-propylundecan-1-amine

C18H37N — CID 65419339

IUPAC1-(2-methylcyclopropyl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)C1CC1C
InChIInChI=1S/C18H37N/c1-4-6-7-8-9-10-11-12-13-18(19-14-5-2)17-15-16(17)3/h16-19H,4-15H2,1-3H3
InChIKeyFGGITKMUHIJRSZ-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds13

About 1-(2-methylcyclopropyl)-N-propylundecan-1-amine

1-(2-methylcyclopropyl)-N-propylundecan-1-amine (PubChem CID 65419339) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-N-propylundecan-1-amine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-N-propylundecan-1-amine
PubChem CID65419339
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-(2-methylcyclopropyl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)C1CC1C
InChIInChI=1S/C18H37N/c1-4-6-7-8-9-10-11-12-13-18(19-14-5-2)17-15-16(17)3/h16-19H,4-15H2,1-3H3
InChIKeyFGGITKMUHIJRSZ-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
1-(2-methylcyclopropyl)octylhydrazine
CID 105234832
N-ethyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65420843
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
1-(2-methylcyclopropyl)-N-propylpent-3-yn-1-amine
CID 65419772
1-heptan-2-yl-2-methylcyclopropane
CID 91084036

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-N-propylundecan-1-amine?
The IUPAC name of 1-(2-methylcyclopropyl)-N-propylundecan-1-amine (CID 65419339) is 1-(2-methylcyclopropyl)-N-propylundecan-1-amine.
What is the SMILES notation for 1-(2-methylcyclopropyl)-N-propylundecan-1-amine?
The canonical SMILES for 1-(2-methylcyclopropyl)-N-propylundecan-1-amine is CCCCCCCCCCC(NCCC)C1CC1C.
What is the InChIKey of 1-(2-methylcyclopropyl)-N-propylundecan-1-amine?
The InChIKey is FGGITKMUHIJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-6-7-8-9-10-11-12-13-18(19-14-5-2)17-15-16(17)3/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-(2-methylcyclopropyl)-N-propylundecan-1-amine?
1-(2-methylcyclopropyl)-N-propylundecan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-N-propylundecan-1-amine is sourced from PubChem (CID 65419339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).