2-pentan-2-yl-N-propylcyclohexan-1-amine

C14H29N — CID 107886768

IUPAC2-pentan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1C(C)CCC
InChIInChI=1S/C14H29N/c1-4-8-12(3)13-9-6-7-10-14(13)15-11-5-2/h12-15H,4-11H2,1-3H3
InChIKeySVFRYYMURPJUNK-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds6

About 2-pentan-2-yl-N-propylcyclohexan-1-amine

2-pentan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 107886768) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-pentan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-pentan-2-yl-N-propylcyclohexan-1-amine
PubChem CID107886768
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-pentan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1C(C)CCC
InChIInChI=1S/C14H29N/c1-4-8-12(3)13-9-6-7-10-14(13)15-11-5-2/h12-15H,4-11H2,1-3H3
InChIKeySVFRYYMURPJUNK-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-bromo-2-pentan-2-ylcycloheptane
CID 107886723
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
CID 174463045
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
CID 64654374
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-pentan-2-yl-N-propylcyclohexan-1-amine (CID 107886768) is 2-pentan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-pentan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-pentan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCCCC1C(C)CCC.
What is the InChIKey of 2-pentan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is SVFRYYMURPJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-8-12(3)13-9-6-7-10-14(13)15-11-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-pentan-2-yl-N-propylcyclohexan-1-amine?
2-pentan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107886768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).