1-cyclopropyl-N-methyltetradecan-3-amine

C18H37N — CID 104995022

IUPAC1-cyclopropyl-N-methyltetradecan-3-amine
SMILESCCCCCCCCCCCC(CCC1CC1)NC
InChIInChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-18(19-2)16-15-17-13-14-17/h17-19H,3-16H2,1-2H3
InChIKeyBKCXHQRVLXDUKY-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.69
Rot. Bonds14

About 1-cyclopropyl-N-methyltetradecan-3-amine

1-cyclopropyl-N-methyltetradecan-3-amine (PubChem CID 104995022) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyltetradecan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyltetradecan-3-amine
PubChem CID104995022
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-cyclopropyl-N-methyltetradecan-3-amine
SMILESCCCCCCCCCCCC(CCC1CC1)NC
InChIInChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-18(19-2)16-15-17-13-14-17/h17-19H,3-16H2,1-2H3
InChIKeyBKCXHQRVLXDUKY-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.69
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-cyclopropyldodecan-3-ylhydrazine
CID 105315052
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
N-methylundecan-4-amine
CID 60996531
1-cyclohexylundecan-3-ylhydrazine
CID 105294415
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
1-cyclopropylundecan-3-ol
CID 115810831
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyltetradecan-3-amine?
The IUPAC name of 1-cyclopropyl-N-methyltetradecan-3-amine (CID 104995022) is 1-cyclopropyl-N-methyltetradecan-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyltetradecan-3-amine?
The canonical SMILES for 1-cyclopropyl-N-methyltetradecan-3-amine is CCCCCCCCCCCC(CCC1CC1)NC.
What is the InChIKey of 1-cyclopropyl-N-methyltetradecan-3-amine?
The InChIKey is BKCXHQRVLXDUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-18(19-2)16-15-17-13-14-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyltetradecan-3-amine?
1-cyclopropyl-N-methyltetradecan-3-amine has a molecular weight of 267.50 g/mol, XLogP of 5.69, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyltetradecan-3-amine is sourced from PubChem (CID 104995022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).