1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine

C14H28N2 — CID 79864399

IUPAC1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
SMILESCCN(C1CCCC1)C1CCC(C)(C)C1N
InChIInChI=1S/C14H28N2/c1-4-16(11-7-5-6-8-11)12-9-10-14(2,3)13(12)15/h11-13H,4-10,15H2,1-3H3
InChIKeyVZUCCHIATBHKLO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds3

About 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine

1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine (PubChem CID 79864399) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
PubChem CID79864399
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
SMILESCCN(C1CCCC1)C1CCC(C)(C)C1N
InChIInChI=1S/C14H28N2/c1-4-16(11-7-5-6-8-11)12-9-10-14(2,3)13(12)15/h11-13H,4-10,15H2,1-3H3
InChIKeyVZUCCHIATBHKLO-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine (CID 79864399) is 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine is CCN(C1CCCC1)C1CCC(C)(C)C1N.
What is the InChIKey of 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
The InChIKey is VZUCCHIATBHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16(11-7-5-6-8-11)12-9-10-14(2,3)13(12)15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine?
1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 79864399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).