4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine

C12H23NO — CID 79558016

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCC1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-14-8-12(13)5-4-11-7-9-2-3-10(11)6-9/h9-12H,2-8,13H2,1H3
InChIKeyRTBFHTOQGWUSSH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine

4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine (PubChem CID 79558016) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
PubChem CID79558016
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCC1CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-14-8-12(13)5-4-11-7-9-2-3-10(11)6-9/h9-12H,2-8,13H2,1H3
InChIKeyRTBFHTOQGWUSSH-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bicyclo[2.2.1]heptanyl)-1-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

1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81101889
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
2-(2-bicyclo[2.2.1]heptanyl)ethyl-methoxysilane
CID 173472189
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
CID 105116960

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine (CID 79558016) is 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine is COCC(N)CCC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine?
The InChIKey is RTBFHTOQGWUSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-8-12(13)5-4-11-7-9-2-3-10(11)6-9/h9-12H,2-8,13H2,1H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine?
4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 79558016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).