2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine

C13H28N2 — CID 62951525

IUPAC2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2/c1-13(2,3)9-12(10-14)15(4)11-7-5-6-8-11/h11-12H,5-10,14H2,1-4H3
InChIKeyLCPVFPKGGQZTPR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine

2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine (PubChem CID 62951525) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
PubChem CID62951525
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2/c1-13(2,3)9-12(10-14)15(4)11-7-5-6-8-11/h11-12H,5-10,14H2,1-4H3
InChIKeyLCPVFPKGGQZTPR-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine (CID 62951525) is 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine is CN(C1CCCC1)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine?
The InChIKey is LCPVFPKGGQZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)9-12(10-14)15(4)11-7-5-6-8-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine?
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62951525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).