N,2-di(propan-2-yl)cycloheptan-1-amine

C13H27N — CID 164647627

IUPACN,2-di(propan-2-yl)cycloheptan-1-amine
SMILESCC(C)NC1CCCCCC1C(C)C
InChIInChI=1S/C13H27N/c1-10(2)12-8-6-5-7-9-13(12)14-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyXNAPBYLOXHCZGK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds3

About N,2-di(propan-2-yl)cycloheptan-1-amine

N,2-di(propan-2-yl)cycloheptan-1-amine (PubChem CID 164647627) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,2-di(propan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)cycloheptan-1-amine
PubChem CID164647627
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,2-di(propan-2-yl)cycloheptan-1-amine
SMILESCC(C)NC1CCCCCC1C(C)C
InChIInChI=1S/C13H27N/c1-10(2)12-8-6-5-7-9-13(12)14-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyXNAPBYLOXHCZGK-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N,2-di(propan-2-yl)cyclopentan-1-amine
CID 90381453
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
CID 124709501
N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 81344120
N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018
N-ethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82709453
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)cycloheptan-1-amine?
The IUPAC name of N,2-di(propan-2-yl)cycloheptan-1-amine (CID 164647627) is N,2-di(propan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N,2-di(propan-2-yl)cycloheptan-1-amine?
The canonical SMILES for N,2-di(propan-2-yl)cycloheptan-1-amine is CC(C)NC1CCCCCC1C(C)C.
What is the InChIKey of N,2-di(propan-2-yl)cycloheptan-1-amine?
The InChIKey is XNAPBYLOXHCZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)12-8-6-5-7-9-13(12)14-11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of N,2-di(propan-2-yl)cycloheptan-1-amine?
N,2-di(propan-2-yl)cycloheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 164647627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).