1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine

C11H24ClN — CID 65025886

IUPAC1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC(C)CCNC(CCl)CC(C)C
InChIInChI=1S/C11H24ClN/c1-9(2)5-6-13-11(8-12)7-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyDEGHLQMSFUSAMI-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.28
Rot. Bonds7

About 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine

1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine (PubChem CID 65025886) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine.

Molecular Properties

Compound Name1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
PubChem CID65025886
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC(C)CCNC(CCl)CC(C)C
InChIInChI=1S/C11H24ClN/c1-9(2)5-6-13-11(8-12)7-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyDEGHLQMSFUSAMI-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.28
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

4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
CID 65025885
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330
1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine
CID 65025716
methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715
2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894477
1-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65025603
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
CID 65030984
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine?
The IUPAC name of 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine (CID 65025886) is 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine.
What is the SMILES notation for 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine?
The canonical SMILES for 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine is CC(C)CCNC(CCl)CC(C)C.
What is the InChIKey of 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine?
The InChIKey is DEGHLQMSFUSAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN/c1-9(2)5-6-13-11(8-12)7-10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine?
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine has a molecular weight of 205.77 g/mol, XLogP of 3.28, 7 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-(3-methylbutyl)pentan-2-amine is sourced from PubChem (CID 65025886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).