2-amino-5-methylidenecyclohexan-1-ol

C7H13NO — CID 91362154

IUPAC2-amino-5-methylidenecyclohexan-1-ol
SMILESC=C1CCC(N)C(O)C1
InChIInChI=1S/C7H13NO/c1-5-2-3-6(8)7(9)4-5/h6-7,9H,1-4,8H2
InChIKeyWFOUWAVBYGATJU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.41
Rot. Bonds

About 2-amino-5-methylidenecyclohexan-1-ol

2-amino-5-methylidenecyclohexan-1-ol (PubChem CID 91362154) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-amino-5-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-5-methylidenecyclohexan-1-ol
PubChem CID91362154
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-amino-5-methylidenecyclohexan-1-ol
SMILESC=C1CCC(N)C(O)C1
InChIInChI=1S/C7H13NO/c1-5-2-3-6(8)7(9)4-5/h6-7,9H,1-4,8H2
InChIKeyWFOUWAVBYGATJU-UHFFFAOYSA-N
XLogP0.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.41
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-4-methylidenehexan-1-ol
CID 55253962
2-Amino-5-methylhex-5-en-3-ol
CID 87518036
2-Methoxy-4-methylidenecyclohexan-1-amine
CID 91590326
2-Amino-4-methylidenecyclohexan-1-ol
CID 117930197
(2R)-2-amino-3-methylidenehexan-1-ol
CID 155396355
cis-(1S,4R)-4-amino-2-methylidenecyclohexan-1-ol
CID 164028494
(3R)-3-amino-4-methylidenehexan-2-ol
CID 166707734
2-Amino-5-methylhex-5-en-1-ol
CID 114477392
(3S)-3-amino-5-methylhex-5-en-2-ol
CID 142194786

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylidenecyclohexan-1-ol?
The IUPAC name of 2-amino-5-methylidenecyclohexan-1-ol (CID 91362154) is 2-amino-5-methylidenecyclohexan-1-ol.
What is the SMILES notation for 2-amino-5-methylidenecyclohexan-1-ol?
The canonical SMILES for 2-amino-5-methylidenecyclohexan-1-ol is C=C1CCC(N)C(O)C1.
What is the InChIKey of 2-amino-5-methylidenecyclohexan-1-ol?
The InChIKey is WFOUWAVBYGATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-2-3-6(8)7(9)4-5/h6-7,9H,1-4,8H2.
What are the key properties of 2-amino-5-methylidenecyclohexan-1-ol?
2-amino-5-methylidenecyclohexan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylidenecyclohexan-1-ol is sourced from PubChem (CID 91362154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).