1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine

C11H20ClN — CID 65030199

IUPAC1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1(CCl)CCC(C)CC1
InChIInChI=1S/C11H20ClN/c1-3-8-13-11(9-12)6-4-10(2)5-7-11/h3,10,13H,1,4-9H2,2H3
InChIKeyZUCTUYGWWLVTAG-UHFFFAOYSA-N
MW201.74 g/mol
LogP2.95
Rot. Bonds4

About 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine

1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 65030199) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID65030199
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1(CCl)CCC(C)CC1
InChIInChI=1S/C11H20ClN/c1-3-8-13-11(9-12)6-4-10(2)5-7-11/h3,10,13H,1,4-9H2,2H3
InChIKeyZUCTUYGWWLVTAG-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine (CID 65030199) is 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine is C=CCNC1(CCl)CCC(C)CC1.
What is the InChIKey of 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is ZUCTUYGWWLVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-3-8-13-11(9-12)6-4-10(2)5-7-11/h3,10,13H,1,4-9H2,2H3.
What are the key properties of 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine?
1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 201.74 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 65030199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).