N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine

C14H27N — CID 79563092

IUPACN-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-14(2,3)15-8-4-5-12-9-11-6-7-13(12)10-11/h11-13,15H,4-10H2,1-3H3
InChIKeyFAZRSHNFCJVZHX-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds4

About N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine

N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine (PubChem CID 79563092) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
PubChem CID79563092
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCC1CC2CCC1C2
InChIInChI=1S/C14H27N/c1-14(2,3)15-8-4-5-12-9-11-6-7-13(12)10-11/h11-13,15H,4-10H2,1-3H3
InChIKeyFAZRSHNFCJVZHX-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-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'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-(4-bromo-5,5-dimethylhexyl)bicyclo[2.2.1]heptane
CID 79550170
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 79563101
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
CID 79550883
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine (CID 79563092) is N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCC1CC2CCC1C2.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine?
The InChIKey is FAZRSHNFCJVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-14(2,3)15-8-4-5-12-9-11-6-7-13(12)10-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine?
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79563092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).