(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol

C7H13NO — CID 101064622

IUPAC(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol
SMILESNC[C@H]1CC=CC[C@H]1O
InChIInChI=1S/C7H13NO/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7,9H,3-5,8H2/t6-,7-/m1/s1
InChIKeyOAJJVHQQDMFCKY-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.27
Rot. Bonds1

About (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol

(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol (PubChem CID 101064622) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol
PubChem CID101064622
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol
SMILESNC[C@H]1CC=CC[C@H]1O
InChIInChI=1S/C7H13NO/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7,9H,3-5,8H2/t6-,7-/m1/s1
InChIKeyOAJJVHQQDMFCKY-RNFRBKRXSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.27
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

2-Amino-1-cyclohex-3-en-1-ylethanol;hydrochloride
CID 90677520
2-Amino-1-cyclohex-3-enyl-ethanol
CID 13829883
[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol
CID 15247348
Rel-((1S,6S)-6-aminocyclohex-3-en-1-yl)methanol
CID 7157088
[(1S,6R)-6-aminocyclohex-3-en-1-yl]methanol
CID 13460063
(6-Aminocyclohex-3-en-1-yl)methanol
CID 13460065
(1R)-2-amino-1-cyclohexa-2,4-dien-1-ylethanol
CID 59515457
6-(3-Amino-2-methylpropyl)cyclohex-3-en-1-ol
CID 68186766
(S)-amino(cyclohex-3-en-1-yl)methanol
CID 89321957
(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol
CID 89473215
1-[(2R)-2-aminocyclohex-3-en-1-yl]but-3-en-1-ol
CID 89864684
[(1S)-6-aminocyclohex-3-en-1-yl]methanol
CID 91290971

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol?
The IUPAC name of (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol (CID 101064622) is (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol?
The canonical SMILES for (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol is NC[C@H]1CC=CC[C@H]1O.
What is the InChIKey of (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol?
The InChIKey is OAJJVHQQDMFCKY-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7,9H,3-5,8H2/t6-,7-/m1/s1.
What are the key properties of (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol?
(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 101064622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).