(E)-1-(4-aminocyclohexyl)prop-1-en-1-ol

C9H17NO — CID 144740492

IUPAC(E)-1-(4-aminocyclohexyl)prop-1-en-1-ol
SMILESC/C=C(/O)C1CCC(N)CC1
InChIInChI=1S/C9H17NO/c1-2-9(11)7-3-5-8(10)6-4-7/h2,7-8,11H,3-6,10H2,1H3/b9-2+
InChIKeyJDZNOYWMDUTYHE-XNWCZRBMSA-N
MW155.24 g/mol
LogP1.97
Rot. Bonds1

About (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol

(E)-1-(4-aminocyclohexyl)prop-1-en-1-ol (PubChem CID 144740492) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-aminocyclohexyl)prop-1-en-1-ol
PubChem CID144740492
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-1-(4-aminocyclohexyl)prop-1-en-1-ol
SMILESC/C=C(/O)C1CCC(N)CC1
InChIInChI=1S/C9H17NO/c1-2-9(11)7-3-5-8(10)6-4-7/h2,7-8,11H,3-6,10H2,1H3/b9-2+
InChIKeyJDZNOYWMDUTYHE-XNWCZRBMSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol?
The IUPAC name of (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol (CID 144740492) is (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol.
What is the SMILES notation for (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol?
The canonical SMILES for (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol is C/C=C(/O)C1CCC(N)CC1.
What is the InChIKey of (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol?
The InChIKey is JDZNOYWMDUTYHE-XNWCZRBMSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9(11)7-3-5-8(10)6-4-7/h2,7-8,11H,3-6,10H2,1H3/b9-2+.
What are the key properties of (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol?
(E)-1-(4-aminocyclohexyl)prop-1-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminocyclohexyl)prop-1-en-1-ol is sourced from PubChem (CID 144740492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).