(5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol

C13H24N2O — CID 70892545

IUPAC(5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol
SMILESNC1CC=CC(C(O)NC2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-5,10-13,15-16H,1-3,6-9,14H2
InChIKeyREZWYBHYUNGZRZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.52
Rot. Bonds3

About (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol

(5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol (PubChem CID 70892545) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol.

Molecular Properties

Compound Name(5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol
PubChem CID70892545
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol
SMILESNC1CC=CC(C(O)NC2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-5,10-13,15-16H,1-3,6-9,14H2
InChIKeyREZWYBHYUNGZRZ-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
1,2,3,4,4a,5,8,8a-Octahydroquinolin-5-ylmethanol
CID 68199886
1,2,3,4,4a,5,8,8a-Octahydroquinolin-4-ylmethanol
CID 68199935
[(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinolin-4-yl]methanol
CID 68213287
[(4-Aminocyclohexa-2,4-dien-1-yl)amino]-cyclohexylmethanol
CID 70892518
(S)-[(4-aminocyclohexa-2,4-dien-1-yl)amino]-cyclohexylmethanol
CID 70974362
(Cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol
CID 70974406
(Cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
CID 89017600
1-[(4-Amino-6-methylcyclohex-2-en-1-yl)amino]but-3-en-1-ol
CID 89163851
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
Cyclohex-2-en-1-yl-(cyclohexylamino)methanol
CID 139564743
[6-(Cyclohexylamino)cyclohex-3-en-1-yl]methanol
CID 13950937

Frequently Asked Questions

What is the IUPAC name of (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol?
The IUPAC name of (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol (CID 70892545) is (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol.
What is the SMILES notation for (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol?
The canonical SMILES for (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol is NC1CC=CC(C(O)NC2CCCCC2)C1.
What is the InChIKey of (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol?
The InChIKey is REZWYBHYUNGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-5,10-13,15-16H,1-3,6-9,14H2.
What are the key properties of (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol?
(5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol has a molecular weight of 224.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminocyclohex-2-en-1-yl)-(cyclohexylamino)methanol is sourced from PubChem (CID 70892545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).