2-[butyl(methyl)amino]-3-methylbutanoyl chloride

C10H20ClNO — CID 82040614

IUPAC2-[butyl(methyl)amino]-3-methylbutanoyl chloride
SMILESCCCCN(C)C(C(=O)Cl)C(C)C
InChIInChI=1S/C10H20ClNO/c1-5-6-7-12(4)9(8(2)3)10(11)13/h8-9H,5-7H2,1-4H3
InChIKeyBQHCPZVTCIGQNE-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.51
Rot. Bonds6

About 2-[butyl(methyl)amino]-3-methylbutanoyl chloride

2-[butyl(methyl)amino]-3-methylbutanoyl chloride (PubChem CID 82040614) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-3-methylbutanoyl chloride.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-3-methylbutanoyl chloride
PubChem CID82040614
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-[butyl(methyl)amino]-3-methylbutanoyl chloride
SMILESCCCCN(C)C(C(=O)Cl)C(C)C
InChIInChI=1S/C10H20ClNO/c1-5-6-7-12(4)9(8(2)3)10(11)13/h8-9H,5-7H2,1-4H3
InChIKeyBQHCPZVTCIGQNE-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(methyl)amino]-3-methylbutanamide
CID 82040476
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332
2-[butyl(methyl)amino]propanamide
CID 60644986
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
CID 82224974
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
2-[butyl(methyl)amino]acetyl chloride
CID 39248237
N-butyl-N,2-dimethylpropanamide
CID 21413636
ethyl 2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323288
ethyl (2S)-2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323287
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-3-methylbutanoyl chloride?
The IUPAC name of 2-[butyl(methyl)amino]-3-methylbutanoyl chloride (CID 82040614) is 2-[butyl(methyl)amino]-3-methylbutanoyl chloride.
What is the SMILES notation for 2-[butyl(methyl)amino]-3-methylbutanoyl chloride?
The canonical SMILES for 2-[butyl(methyl)amino]-3-methylbutanoyl chloride is CCCCN(C)C(C(=O)Cl)C(C)C.
What is the InChIKey of 2-[butyl(methyl)amino]-3-methylbutanoyl chloride?
The InChIKey is BQHCPZVTCIGQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-5-6-7-12(4)9(8(2)3)10(11)13/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[butyl(methyl)amino]-3-methylbutanoyl chloride?
2-[butyl(methyl)amino]-3-methylbutanoyl chloride has a molecular weight of 205.73 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-3-methylbutanoyl chloride is sourced from PubChem (CID 82040614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).