5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine

C11H22ClN — CID 164649735

IUPAC5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CC(Cl)CC(C)(C)C1
InChIInChI=1S/C11H22ClN/c1-8(2)13-10-5-9(12)6-11(3,4)7-10/h8-10,13H,5-7H2,1-4H3
InChIKeyLYDLGACXNQKPNC-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.17
Rot. Bonds2

About 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine

5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 164649735) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID164649735
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CC(Cl)CC(C)(C)C1
InChIInChI=1S/C11H22ClN/c1-8(2)13-10-5-9(12)6-11(3,4)7-10/h8-10,13H,5-7H2,1-4H3
InChIKeyLYDLGACXNQKPNC-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.17
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 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine (CID 164649735) is 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CC(Cl)CC(C)(C)C1.
What is the InChIKey of 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is LYDLGACXNQKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-8(2)13-10-5-9(12)6-11(3,4)7-10/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine?
5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 164649735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).