1-chloro-4-methyl-N-propan-2-ylpentan-2-amine

C9H20ClN — CID 65025885

IUPAC1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)CC(CCl)NC(C)C
InChIInChI=1S/C9H20ClN/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCJEHVFSDYXHXBB-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.64
Rot. Bonds5

About 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine

1-chloro-4-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 65025885) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
PubChem CID65025885
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)CC(CCl)NC(C)C
InChIInChI=1S/C9H20ClN/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCJEHVFSDYXHXBB-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
CID 168776227
5-methyl-N-propan-2-ylhexan-3-amine
CID 91577659
4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066978
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 65025886
6-methyl-N-propan-2-ylhept-1-en-4-amine
CID 129015544
N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
CID 65030984
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715
1-chloro-2,3,5-trimethylhexane
CID 130519679
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine (CID 65025885) is 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine is CC(C)CC(CCl)NC(C)C.
What is the InChIKey of 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is CJEHVFSDYXHXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine?
1-chloro-4-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 177.72 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 65025885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).