N-(3-methylbutan-2-yl)cycloheptanamine

C12H25N — CID 43181172

IUPACN-(3-methylbutan-2-yl)cycloheptanamine
SMILESCC(C)C(C)NC1CCCCCC1
InChIInChI=1S/C12H25N/c1-10(2)11(3)13-12-8-6-4-5-7-9-12/h10-13H,4-9H2,1-3H3
InChIKeyOUPMAADIOUMJMY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds3

About N-(3-methylbutan-2-yl)cycloheptanamine

N-(3-methylbutan-2-yl)cycloheptanamine (PubChem CID 43181172) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)cycloheptanamine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)cycloheptanamine
PubChem CID43181172
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(3-methylbutan-2-yl)cycloheptanamine
SMILESCC(C)C(C)NC1CCCCCC1
InChIInChI=1S/C12H25N/c1-10(2)11(3)13-12-8-6-4-5-7-9-12/h10-13H,4-9H2,1-3H3
InChIKeyOUPMAADIOUMJMY-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylbutan-2-yl)cyclopropanamine
CID 16772546
N-propan-2-ylcycloheptanamine
CID 42562651
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
4-(3-methylbutan-2-ylamino)cyclohexan-1-one
CID 127000025
1-(cyclopentylamino)ethanol
CID 18784157
1-cyclopropyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43747064
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)cycloheptanamine?
The IUPAC name of N-(3-methylbutan-2-yl)cycloheptanamine (CID 43181172) is N-(3-methylbutan-2-yl)cycloheptanamine.
What is the SMILES notation for N-(3-methylbutan-2-yl)cycloheptanamine?
The canonical SMILES for N-(3-methylbutan-2-yl)cycloheptanamine is CC(C)C(C)NC1CCCCCC1.
What is the InChIKey of N-(3-methylbutan-2-yl)cycloheptanamine?
The InChIKey is OUPMAADIOUMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)11(3)13-12-8-6-4-5-7-9-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)cycloheptanamine?
N-(3-methylbutan-2-yl)cycloheptanamine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)cycloheptanamine is sourced from PubChem (CID 43181172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).