[4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol

C11H19NO — CID 143652645

IUPAC[4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol
SMILESNCC1CCC(C(O)=C2CC2)CC1
InChIInChI=1S/C11H19NO/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h8-9,13H,1-7,12H2
InChIKeyJQGDXYVGFLUOQX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.36
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol

[4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol (PubChem CID 143652645) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol
PubChem CID143652645
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol
SMILESNCC1CCC(C(O)=C2CC2)CC1
InChIInChI=1S/C11H19NO/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h8-9,13H,1-7,12H2
InChIKeyJQGDXYVGFLUOQX-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.36
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 [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol (CID 143652645) is [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol is NCC1CCC(C(O)=C2CC2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol?
The InChIKey is JQGDXYVGFLUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h8-9,13H,1-7,12H2.
What are the key properties of [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol?
[4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol has a molecular weight of 181.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-cyclopropylidenemethanol is sourced from PubChem (CID 143652645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).