1-prop-2-enylcyclohexane-1,2-diamine

C9H18N2 — CID 68617313

IUPAC1-prop-2-enylcyclohexane-1,2-diamine
SMILESC=CCC1(N)CCCCC1N
InChIInChI=1S/C9H18N2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8H,1,3-7,10-11H2
InChIKeyOXEJTCKZDJINHU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.16
Rot. Bonds2

About 1-prop-2-enylcyclohexane-1,2-diamine

1-prop-2-enylcyclohexane-1,2-diamine (PubChem CID 68617313) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-prop-2-enylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-prop-2-enylcyclohexane-1,2-diamine
PubChem CID68617313
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-prop-2-enylcyclohexane-1,2-diamine
SMILESC=CCC1(N)CCCCC1N
InChIInChI=1S/C9H18N2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8H,1,3-7,10-11H2
InChIKeyOXEJTCKZDJINHU-UHFFFAOYSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethylcyclohexane-1,2-diamine
CID 67021542
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
1-butylcyclohexane-1,2-diamine;dihydrochloride
CID 174736992
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
CID 12931506
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine
CID 174655386
5-methyl-1-prop-2-enylcyclooctan-1-amine
CID 143705620
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
1,2-bis[(1-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 3018055
4-[(4-amino-1-prop-2-enylcyclohexyl)methyl]-4-prop-2-enylcyclohexan-1-amine
CID 67882138
2-amino-1-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 130645619

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylcyclohexane-1,2-diamine?
The IUPAC name of 1-prop-2-enylcyclohexane-1,2-diamine (CID 68617313) is 1-prop-2-enylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-prop-2-enylcyclohexane-1,2-diamine?
The canonical SMILES for 1-prop-2-enylcyclohexane-1,2-diamine is C=CCC1(N)CCCCC1N.
What is the InChIKey of 1-prop-2-enylcyclohexane-1,2-diamine?
The InChIKey is OXEJTCKZDJINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8H,1,3-7,10-11H2.
What are the key properties of 1-prop-2-enylcyclohexane-1,2-diamine?
1-prop-2-enylcyclohexane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclohexane-1,2-diamine is sourced from PubChem (CID 68617313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).