1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine

C14H28N2 — CID 43541082

IUPAC1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine
SMILESCCN(C1CCCC1)C1CCCCCC1N
InChIInChI=1S/C14H28N2/c1-2-16(12-8-6-7-9-12)14-11-5-3-4-10-13(14)15/h12-14H,2-11,15H2,1H3
InChIKeyOCOHMBVWHMHELQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.91
Rot. Bonds3

About 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine

1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine (PubChem CID 43541082) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine
PubChem CID43541082
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine
SMILESCCN(C1CCCC1)C1CCCCCC1N
InChIInChI=1S/C14H28N2/c1-2-16(12-8-6-7-9-12)14-11-5-3-4-10-13(14)15/h12-14H,2-11,15H2,1H3
InChIKeyOCOHMBVWHMHELQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
CID 43541047
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79864399
2-N-cyclopropyl-2-N-(2-methoxyethyl)cyclooctane-1,2-diamine
CID 54946309
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
4-[cyclohexyl(ethyl)amino]pyrrolidin-3-ol
CID 63703140
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695
2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 63068767
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
CID 80997243
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine (CID 43541082) is 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine is CCN(C1CCCC1)C1CCCCCC1N.
What is the InChIKey of 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine?
The InChIKey is OCOHMBVWHMHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-16(12-8-6-7-9-12)14-11-5-3-4-10-13(14)15/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine?
1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.91, 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-ethylcycloheptane-1,2-diamine is sourced from PubChem (CID 43541082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).