cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine

C9H17N — CID 12910257

IUPACcis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
SMILESC=CC[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2/t8-,9-/m1/s1
InChIKeyFHBMYNJEZCLYTL-RKDXNWHRSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds2

About cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine

cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine (PubChem CID 12910257) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
PubChem CID12910257
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namecis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
SMILESC=CC[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2/t8-,9-/m1/s1
InChIKeyFHBMYNJEZCLYTL-RKDXNWHRSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-prop-2-enylcyclopentan-1-amine
CID 52897209
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
4-prop-2-enylcyclohexane-1,3-diamine
CID 66809827
2-methyl-3-prop-2-enylcyclopentan-1-amine
CID 64908752
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505
(2-prop-2-enylcyclobutyl)methanamine
CID 81011534
[(1R,2R)-2-prop-2-enylcyclohexyl] formate
CID 162455563
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
CID 163198683
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine (CID 12910257) is cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine is C=CC[C@@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine?
The InChIKey is FHBMYNJEZCLYTL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h2,8-9H,1,3-7,10H2/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine?
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 12910257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).