(4-methyl-2-pentan-2-ylcyclohexyl)methanamine

C13H27N — CID 107889294

IUPAC(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
SMILESCCCC(C)C1CC(C)CCC1CN
InChIInChI=1S/C13H27N/c1-4-5-11(3)13-8-10(2)6-7-12(13)9-14/h10-13H,4-9,14H2,1-3H3
InChIKeyHKHJXHAUHJHNDB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.43
Rot. Bonds4

About (4-methyl-2-pentan-2-ylcyclohexyl)methanamine

(4-methyl-2-pentan-2-ylcyclohexyl)methanamine (PubChem CID 107889294) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (4-methyl-2-pentan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
PubChem CID107889294
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
SMILESCCCC(C)C1CC(C)CCC1CN
InChIInChI=1S/C13H27N/c1-4-5-11(3)13-8-10(2)6-7-12(13)9-14/h10-13H,4-9,14H2,1-3H3
InChIKeyHKHJXHAUHJHNDB-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
CID 116500448
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
CID 91297602
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
CID 43293723
(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
CID 81328634
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pentan-2-ylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-2-pentan-2-ylcyclohexyl)methanamine (CID 107889294) is (4-methyl-2-pentan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-2-pentan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-2-pentan-2-ylcyclohexyl)methanamine is CCCC(C)C1CC(C)CCC1CN.
What is the InChIKey of (4-methyl-2-pentan-2-ylcyclohexyl)methanamine?
The InChIKey is HKHJXHAUHJHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-11(3)13-8-10(2)6-7-12(13)9-14/h10-13H,4-9,14H2,1-3H3.
What are the key properties of (4-methyl-2-pentan-2-ylcyclohexyl)methanamine?
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pentan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 107889294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).