1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol

C10H18ClNO — CID 65109074

IUPAC1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(Cl)CNCC1(O)CCCCC1
InChIInChI=1S/C10H18ClNO/c1-9(11)7-12-8-10(13)5-3-2-4-6-10/h12-13H,1-8H2
InChIKeyQQJZEWFZUPGJCZ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.02
Rot. Bonds4

About 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol

1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol (PubChem CID 65109074) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol
PubChem CID65109074
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(Cl)CNCC1(O)CCCCC1
InChIInChI=1S/C10H18ClNO/c1-9(11)7-12-8-10(13)5-3-2-4-6-10/h12-13H,1-8H2
InChIKeyQQJZEWFZUPGJCZ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol (CID 65109074) is 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol is C=C(Cl)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is QQJZEWFZUPGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(11)7-12-8-10(13)5-3-2-4-6-10/h12-13H,1-8H2.
What are the key properties of 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol?
1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 203.71 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroprop-2-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65109074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).