1-ethylcyclohexane-1,2-diamine

C8H18N2 — CID 67021542

IUPAC1-ethylcyclohexane-1,2-diamine
SMILESCCC1(N)CCCCC1N
InChIInChI=1S/C8H18N2/c1-2-8(10)6-4-3-5-7(8)9/h7H,2-6,9-10H2,1H3
InChIKeyMVASGNRQYLESCQ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.00
Rot. Bonds1

About 1-ethylcyclohexane-1,2-diamine

1-ethylcyclohexane-1,2-diamine (PubChem CID 67021542) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-ethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-ethylcyclohexane-1,2-diamine
PubChem CID67021542
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-ethylcyclohexane-1,2-diamine
SMILESCCC1(N)CCCCC1N
InChIInChI=1S/C8H18N2/c1-2-8(10)6-4-3-5-7(8)9/h7H,2-6,9-10H2,1H3
InChIKeyMVASGNRQYLESCQ-UHFFFAOYSA-N
XLogP1.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butylcyclohexane-1,2-diamine;dihydrochloride
CID 174736992
2-ethyl-1-(2-ethylbutyl)cyclohexan-1-amine
CID 82920876
1-prop-2-enylcyclohexane-1,2-diamine
CID 68617313
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2,2-diethylcyclopentan-1-amine
CID 165447049
1,2-bis[(1-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 3018055
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
CID 82920767
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2-ethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65167407
(8R)-spiro[2.5]octan-8-amine
CID 89147380
(8S)-spiro[2.5]octan-8-amine
CID 89147381

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexane-1,2-diamine?
The IUPAC name of 1-ethylcyclohexane-1,2-diamine (CID 67021542) is 1-ethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-ethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-ethylcyclohexane-1,2-diamine is CCC1(N)CCCCC1N.
What is the InChIKey of 1-ethylcyclohexane-1,2-diamine?
The InChIKey is MVASGNRQYLESCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-8(10)6-4-3-5-7(8)9/h7H,2-6,9-10H2,1H3.
What are the key properties of 1-ethylcyclohexane-1,2-diamine?
1-ethylcyclohexane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexane-1,2-diamine is sourced from PubChem (CID 67021542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).