3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol

C10H18ClNO — CID 106132351

IUPAC3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC/C=C/Cl)C1
InChIInChI=1S/C10H18ClNO/c11-5-2-6-12-8-9-3-1-4-10(13)7-9/h2,5,9-10,12-13H,1,3-4,6-8H2/b5-2+
InChIKeyAUMIPURFPYLZTL-GORDUTHDSA-N
MW203.71 g/mol
LogP1.88
Rot. Bonds4

About 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol

3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132351) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132351
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC/C=C/Cl)C1
InChIInChI=1S/C10H18ClNO/c11-5-2-6-12-8-9-3-1-4-10(13)7-9/h2,5,9-10,12-13H,1,3-4,6-8H2/b5-2+
InChIKeyAUMIPURFPYLZTL-GORDUTHDSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-chloro-N-(thian-4-ylmethyl)prop-2-en-1-amine
CID 107900344
(E)-3-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 107899946
N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
CID 118013747
(E)-3-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]prop-2-en-1-amine
CID 107901082
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
CID 106132055
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbut-2-enoic acid
CID 106137059
3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol
CID 106124601
(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
CID 81430081

Frequently Asked Questions

What is the IUPAC name of 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol (CID 106132351) is 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNC/C=C/Cl)C1.
What is the InChIKey of 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is AUMIPURFPYLZTL-GORDUTHDSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-5-2-6-12-8-9-3-1-4-10(13)7-9/h2,5,9-10,12-13H,1,3-4,6-8H2/b5-2+.
What are the key properties of 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol?
3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 203.71 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).