1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine

C10H22ClNO — CID 104649741

IUPAC1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
SMILESCCC(C)(CCl)NCCCCOC
InChIInChI=1S/C10H22ClNO/c1-4-10(2,9-11)12-7-5-6-8-13-3/h12H,4-9H2,1-3H3
InChIKeyKMPMQWMPFAITGH-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.41
Rot. Bonds8

About 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine

1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine (PubChem CID 104649741) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
PubChem CID104649741
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
SMILESCCC(C)(CCl)NCCCCOC
InChIInChI=1S/C10H22ClNO/c1-4-10(2,9-11)12-7-5-6-8-13-3/h12H,4-9H2,1-3H3
InChIKeyKMPMQWMPFAITGH-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-methyl-N-propylbutan-2-amine
CID 65024728
3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
CID 65024834
1-chloro-N-(3-ethylsulfonylpropyl)-2-methylbutan-2-amine
CID 65096930
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine
CID 115634032
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
1-chloro-2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 65024453
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
3,3,3-trifluoro-2-(4-methoxybutylamino)-2-methylpropanoic acid
CID 104648495

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine?
The IUPAC name of 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine (CID 104649741) is 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine.
What is the SMILES notation for 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine?
The canonical SMILES for 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine is CCC(C)(CCl)NCCCCOC.
What is the InChIKey of 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine?
The InChIKey is KMPMQWMPFAITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-4-10(2,9-11)12-7-5-6-8-13-3/h12H,4-9H2,1-3H3.
What are the key properties of 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine?
1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine has a molecular weight of 207.74 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine is sourced from PubChem (CID 104649741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).