4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine

C10H18ClNO — CID 131359008

IUPAC4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine
SMILESC/C(=C\Cl)COC1CCC(N)CC1
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-4-2-9(12)3-5-10/h6,9-10H,2-5,7,12H2,1H3/b8-6+
InChIKeyHTMDCFFKVPKZIE-SOFGYWHQSA-N
MW203.71 g/mol
LogP2.42
Rot. Bonds3

About 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine

4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine (PubChem CID 131359008) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine
PubChem CID131359008
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine
SMILESC/C(=C\Cl)COC1CCC(N)CC1
InChIInChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-4-2-9(12)3-5-10/h6,9-10H,2-5,7,12H2,1H3/b8-6+
InChIKeyHTMDCFFKVPKZIE-SOFGYWHQSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 62807756
4-(3-Methylbut-2-enoxy)cyclohexan-1-amine
CID 62807757
4-(2-Methylprop-2-enoxy)cyclohexan-1-amine
CID 62807758
4-(2-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 62807934
4-(2-Methylidenebutoxy)cyclohexan-1-amine
CID 66045738
4-(3-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 76949652
4-(2,3-Dichloroprop-2-enoxy)cyclohexan-1-amine
CID 79173068
4-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454357
N-methyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 104454396
4-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
CID 104454472
4-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454568
4-[(E)-3-chloroprop-2-enoxy]-N-ethylcyclohexan-1-amine
CID 104454890

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine (CID 131359008) is 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine is C/C(=C\Cl)COC1CCC(N)CC1.
What is the InChIKey of 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine?
The InChIKey is HTMDCFFKVPKZIE-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(6-11)7-13-10-4-2-9(12)3-5-10/h6,9-10H,2-5,7,12H2,1H3/b8-6+.
What are the key properties of 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine?
4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloro-2-methylprop-2-enoxy]cyclohexan-1-amine is sourced from PubChem (CID 131359008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).