4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine

C13H25N — CID 170260434

IUPAC4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine
SMILESCC(N)CCC1CC2CCC(C2)C1C
InChIInChI=1S/C13H25N/c1-9(14)3-5-12-7-11-4-6-13(8-11)10(12)2/h9-13H,3-8,14H2,1-2H3
InChIKeyVGLKOCQIGBDZRW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.19
Rot. Bonds3

About 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine

4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine (PubChem CID 170260434) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine
PubChem CID170260434
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine
SMILESCC(N)CCC1CC2CCC(C2)C1C
InChIInChI=1S/C13H25N/c1-9(14)3-5-12-7-11-4-6-13(8-11)10(12)2/h9-13H,3-8,14H2,1-2H3
InChIKeyVGLKOCQIGBDZRW-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine with MolForge

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Related Compounds

2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
CID 79558016
6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
CID 79550883
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(2S)-bicyclo[2.2.1]heptan-2-amine;platinum(2+);propan-2-amine;dichloride
CID 56600530
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine?
The IUPAC name of 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine (CID 170260434) is 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine.
What is the SMILES notation for 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine?
The canonical SMILES for 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine is CC(N)CCC1CC2CCC(C2)C1C.
What is the InChIKey of 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine?
The InChIKey is VGLKOCQIGBDZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(14)3-5-12-7-11-4-6-13(8-11)10(12)2/h9-13H,3-8,14H2,1-2H3.
What are the key properties of 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine?
4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-bicyclo[3.2.1]octanyl)butan-2-amine is sourced from PubChem (CID 170260434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).