1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine

C10H20ClN — CID 65024608

IUPAC1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(CCl)CCCCC1
InChIInChI=1S/C10H20ClN/c1-9(2)12-10(8-11)6-4-3-5-7-10/h9,12H,3-8H2,1-2H3
InChIKeyMHTQGBKKAPOWTD-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.93
Rot. Bonds3

About 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine

1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 65024608) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID65024608
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1(CCl)CCCCC1
InChIInChI=1S/C10H20ClN/c1-9(2)12-10(8-11)6-4-3-5-7-10/h9,12H,3-8H2,1-2H3
InChIKeyMHTQGBKKAPOWTD-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine (CID 65024608) is 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is MHTQGBKKAPOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-9(2)12-10(8-11)6-4-3-5-7-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine?
1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 189.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65024608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).