N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine

C13H27N — CID 23588545

IUPACN-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H27N/c1-11(2)14(10-13(3,4)5)12-8-6-7-9-12/h11-12H,6-10H2,1-5H3
InChIKeyPMPVXQZSQMCVPG-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine

N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine (PubChem CID 23588545) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine
PubChem CID23588545
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H27N/c1-11(2)14(10-13(3,4)5)12-8-6-7-9-12/h11-12H,6-10H2,1-5H3
InChIKeyPMPVXQZSQMCVPG-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine (CID 23588545) is N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine is CC(C)N(CC(C)(C)C)C1CCCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine?
The InChIKey is PMPVXQZSQMCVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)14(10-13(3,4)5)12-8-6-7-9-12/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine?
N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 23588545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).