(4-aminocyclohexen-1-yl)methanol

C7H13NO — CID 77396469

IUPAC(4-aminocyclohexen-1-yl)methanol
SMILESNC1CC=C(CO)CC1
InChIInChI=1S/C7H13NO/c8-7-3-1-6(5-9)2-4-7/h1,7,9H,2-5,8H2
InChIKeyPOQOSKHKWRJLMS-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.42
Rot. Bonds1

About (4-aminocyclohexen-1-yl)methanol

(4-aminocyclohexen-1-yl)methanol (PubChem CID 77396469) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4-aminocyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(4-aminocyclohexen-1-yl)methanol
PubChem CID77396469
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4-aminocyclohexen-1-yl)methanol
SMILESNC1CC=C(CO)CC1
InChIInChI=1S/C7H13NO/c8-7-3-1-6(5-9)2-4-7/h1,7,9H,2-5,8H2
InChIKeyPOQOSKHKWRJLMS-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexen-1-yl)methanol?
The IUPAC name of (4-aminocyclohexen-1-yl)methanol (CID 77396469) is (4-aminocyclohexen-1-yl)methanol.
What is the SMILES notation for (4-aminocyclohexen-1-yl)methanol?
The canonical SMILES for (4-aminocyclohexen-1-yl)methanol is NC1CC=C(CO)CC1.
What is the InChIKey of (4-aminocyclohexen-1-yl)methanol?
The InChIKey is POQOSKHKWRJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-7-3-1-6(5-9)2-4-7/h1,7,9H,2-5,8H2.
What are the key properties of (4-aminocyclohexen-1-yl)methanol?
(4-aminocyclohexen-1-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexen-1-yl)methanol is sourced from PubChem (CID 77396469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).