N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine

C14H29N — CID 107447751

IUPACN-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
SMILESCCCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-5-7-12(4)15-14-9-6-8-13(10-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyXFHTXDIMWMDTPE-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds5

About N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine

N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107447751) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
PubChem CID107447751
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
SMILESCCCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-5-7-12(4)15-14-9-6-8-13(10-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyXFHTXDIMWMDTPE-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103560702
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
N-pentan-2-ylcyclooctanamine
CID 43079432
N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448780
N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448809
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
3-cyclopropyl-N-hexan-2-ylcyclohexan-1-amine
CID 64625205
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine (CID 107447751) is N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine is CCCC(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is XFHTXDIMWMDTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-7-12(4)15-14-9-6-8-13(10-14)11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine?
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107447751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).