N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine

C19H39N — CID 139447352

IUPACN-[(1-methylcyclopropyl)methyl]tetradecan-7-amine
SMILESCCCCCCCC(CCCCCC)NCC1(C)CC1
InChIInChI=1S/C19H39N/c1-4-6-8-10-12-14-18(13-11-9-7-5-2)20-17-19(3)15-16-19/h18,20H,4-17H2,1-3H3
InChIKeyBURTZDOWOAYGNT-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.08
Rot. Bonds14

About N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine

N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine (PubChem CID 139447352) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]tetradecan-7-amine
PubChem CID139447352
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[(1-methylcyclopropyl)methyl]tetradecan-7-amine
SMILESCCCCCCCC(CCCCCC)NCC1(C)CC1
InChIInChI=1S/C19H39N/c1-4-6-8-10-12-14-18(13-11-9-7-5-2)20-17-19(3)15-16-19/h18,20H,4-17H2,1-3H3
InChIKeyBURTZDOWOAYGNT-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
N-ethyltetradecan-7-amine
CID 87847195
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
N-ethylhexadecan-4-amine
CID 63413885
N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
N-ethyldecan-5-amine
CID 79405026
N-ethylnonan-3-amine
CID 60996683
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
N-methylheptadecan-9-amine;hydrochloride
CID 175813537

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine (CID 139447352) is N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine is CCCCCCCC(CCCCCC)NCC1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine?
The InChIKey is BURTZDOWOAYGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-6-8-10-12-14-18(13-11-9-7-5-2)20-17-19(3)15-16-19/h18,20H,4-17H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine?
N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine has a molecular weight of 281.53 g/mol, XLogP of 6.08, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine is sourced from PubChem (CID 139447352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).