N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine

C14H27NO — CID 115714190

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCC1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-10(11(2)16-3)15-7-6-14-9-12-4-5-13(14)8-12/h10-15H,4-9H2,1-3H3
InChIKeyXJNWKOKIIWXPNO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115714190) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine
PubChem CID115714190
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCC1CC2CCC1C2
InChIInChI=1S/C14H27NO/c1-10(11(2)16-3)15-7-6-14-9-12-4-5-13(14)8-12/h10-15H,4-9H2,1-3H3
InChIKeyXJNWKOKIIWXPNO-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-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-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405492
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
2-(2-bicyclo[2.2.1]heptanyl)ethyl-methoxysilane
CID 173472189
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine
CID 104694128
4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
CID 79558016

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine (CID 115714190) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is XJNWKOKIIWXPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(11(2)16-3)15-7-6-14-9-12-4-5-13(14)8-12/h10-15H,4-9H2,1-3H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115714190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).