1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol

C11H20ClNO — CID 65120996

IUPAC1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
SMILESC=C(Cl)CNCC1(O)CCC(C)CC1
InChIInChI=1S/C11H20ClNO/c1-9-3-5-11(14,6-4-9)8-13-7-10(2)12/h9,13-14H,2-8H2,1H3
InChIKeyQUIRNSRJVUGMER-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.27
Rot. Bonds4

About 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol

1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65120996) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65120996
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
SMILESC=C(Cl)CNCC1(O)CCC(C)CC1
InChIInChI=1S/C11H20ClNO/c1-9-3-5-11(14,6-4-9)8-13-7-10(2)12/h9,13-14H,2-8H2,1H3
InChIKeyQUIRNSRJVUGMER-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol (CID 65120996) is 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol is C=C(Cl)CNCC1(O)CCC(C)CC1.
What is the InChIKey of 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is QUIRNSRJVUGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9-3-5-11(14,6-4-9)8-13-7-10(2)12/h9,13-14H,2-8H2,1H3.
What are the key properties of 1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 217.74 g/mol, XLogP of 2.27, 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]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65120996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).