1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine

C19H39N — CID 107004336

IUPAC1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)C1CC1(C)C
InChIInChI=1S/C19H39N/c1-5-7-8-9-10-11-12-13-14-18(20-15-6-2)17-16-19(17,3)4/h17-18,20H,5-16H2,1-4H3
InChIKeyFAOJENZTAHMSFQ-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.93
Rot. Bonds13

About 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine

1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine (PubChem CID 107004336) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
PubChem CID107004336
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)C1CC1(C)C
InChIInChI=1S/C19H39N/c1-5-7-8-9-10-11-12-13-14-18(20-15-6-2)17-16-19(17,3)4/h17-18,20H,5-16H2,1-4H3
InChIKeyFAOJENZTAHMSFQ-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.93
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

1-(2,2-dimethylcyclopropyl)octylhydrazine
CID 107005603
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004602
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
CID 107004361
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 114623279
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine (CID 107004336) is 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine is CCCCCCCCCCC(NCCC)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine?
The InChIKey is FAOJENZTAHMSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-5-7-8-9-10-11-12-13-14-18(20-15-6-2)17-16-19(17,3)4/h17-18,20H,5-16H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine?
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.93, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine is sourced from PubChem (CID 107004336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).