3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine

C12H22ClN — CID 106437955

IUPAC3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CN[C@H](C)C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-10(8-13)9-14-11(2)12-6-4-3-5-7-12/h8,11-12,14H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyMFPZMPQFVXJXCR-LLVKDONJSA-N
MW215.77 g/mol
LogP3.69
Rot. Bonds4

About 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine

3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine (PubChem CID 106437955) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
PubChem CID106437955
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CN[C@H](C)C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-10(8-13)9-14-11(2)12-6-4-3-5-7-12/h8,11-12,14H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyMFPZMPQFVXJXCR-LLVKDONJSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine
CID 79167060
2-bromo-N-[(1S)-1-cycloheptylethyl]prop-2-en-1-amine
CID 81392005
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine (CID 106437955) is 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine is CC(=CCl)CN[C@H](C)C1CCCCC1.
What is the InChIKey of 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine?
The InChIKey is MFPZMPQFVXJXCR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22ClN/c1-10(8-13)9-14-11(2)12-6-4-3-5-7-12/h8,11-12,14H,3-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine?
3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).