2-[bis(2-methylpropyl)amino]acetyl chloride

C10H20ClNO — CID 39254720

IUPAC2-[bis(2-methylpropyl)amino]acetyl chloride
SMILESCC(C)CN(CC(=O)Cl)CC(C)C
InChIInChI=1S/C10H20ClNO/c1-8(2)5-12(6-9(3)4)7-10(11)13/h8-9H,5-7H2,1-4H3
InChIKeyOSJBOCOBULPNRR-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.37
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]acetyl chloride

2-[bis(2-methylpropyl)amino]acetyl chloride (PubChem CID 39254720) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]acetyl chloride
PubChem CID39254720
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-[bis(2-methylpropyl)amino]acetyl chloride
SMILESCC(C)CN(CC(=O)Cl)CC(C)C
InChIInChI=1S/C10H20ClNO/c1-8(2)5-12(6-9(3)4)7-10(11)13/h8-9H,5-7H2,1-4H3
InChIKeyOSJBOCOBULPNRR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
CID 79886811
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82327090
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
2-[ethyl(2-methylpropyl)amino]acetohydrazide
CID 63574008

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]acetyl chloride?
The IUPAC name of 2-[bis(2-methylpropyl)amino]acetyl chloride (CID 39254720) is 2-[bis(2-methylpropyl)amino]acetyl chloride.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]acetyl chloride?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]acetyl chloride is CC(C)CN(CC(=O)Cl)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]acetyl chloride?
The InChIKey is OSJBOCOBULPNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(2)5-12(6-9(3)4)7-10(11)13/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]acetyl chloride?
2-[bis(2-methylpropyl)amino]acetyl chloride has a molecular weight of 205.73 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]acetyl chloride is sourced from PubChem (CID 39254720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).