N-[chloro(cyclohexyl)methyl]propan-2-amine

C10H20ClN — CID 150832993

IUPACN-[chloro(cyclohexyl)methyl]propan-2-amine
SMILESCC(C)NC(Cl)C1CCCCC1
InChIInChI=1S/C10H20ClN/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyKMJFTUWELCATMO-UHFFFAOYSA-N
MW189.73 g/mol
LogP3.13
Rot. Bonds3

About N-[chloro(cyclohexyl)methyl]propan-2-amine

N-[chloro(cyclohexyl)methyl]propan-2-amine (PubChem CID 150832993) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-[chloro(cyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[chloro(cyclohexyl)methyl]propan-2-amine
PubChem CID150832993
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-[chloro(cyclohexyl)methyl]propan-2-amine
SMILESCC(C)NC(Cl)C1CCCCC1
InChIInChI=1S/C10H20ClN/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyKMJFTUWELCATMO-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro(cyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[chloro(cyclohexyl)methyl]propan-2-amine (CID 150832993) is N-[chloro(cyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[chloro(cyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[chloro(cyclohexyl)methyl]propan-2-amine is CC(C)NC(Cl)C1CCCCC1.
What is the InChIKey of N-[chloro(cyclohexyl)methyl]propan-2-amine?
The InChIKey is KMJFTUWELCATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[chloro(cyclohexyl)methyl]propan-2-amine?
N-[chloro(cyclohexyl)methyl]propan-2-amine has a molecular weight of 189.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(cyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 150832993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).