2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine

C10H18ClNO — CID 102633139

IUPAC2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OC/C=C/Cl
InChIInChI=1S/C10H18ClNO/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3/b7-4+
InChIKeyVWRLTCGWADSTGC-QPJJXVBHSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds4

About 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine

2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine (PubChem CID 102633139) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
PubChem CID102633139
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OC/C=C/Cl
InChIInChI=1S/C10H18ClNO/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3/b7-4+
InChIKeyVWRLTCGWADSTGC-QPJJXVBHSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Chloroprop-2-enoxymethyl)piperidine
CID 76940248
2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633097
N-methyl-2-prop-2-enoxycyclohexan-1-amine
CID 102633115
2-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633133
N-methyl-2-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 102633436
2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
CID 102633452
2-[(E)-but-2-enoxy]-N-methylcyclohexan-1-amine
CID 102633519
2-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 104285378
4-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
CID 104454472
4-[(E)-3-chloroprop-2-enoxy]-N-ethylcyclohexan-1-amine
CID 104454890
4-[(E)-3-chloroprop-2-enoxy]-N-propylcyclohexan-1-amine
CID 104455268
2-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106439145

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine (CID 102633139) is 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1OC/C=C/Cl.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine?
The InChIKey is VWRLTCGWADSTGC-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3/b7-4+.
What are the key properties of 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine?
2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine has a molecular weight of 203.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).