2-aminobutyl hypochlorite;N,N-dimethylmethanamine

C7H19ClN2O — CID 88777297

IUPAC2-aminobutyl hypochlorite;N,N-dimethylmethanamine
SMILESCCC(N)COCl.CN(C)C
InChIInChI=1S/C4H10ClNO.C3H9N/c1-2-4(6)3-7-5;1-4(2)3/h4H,2-3,6H2,1H3;1-3H3
InChIKeySUMBFYYRHHKXEB-UHFFFAOYSA-N
MW182.69 g/mol
LogP1.07
Rot. Bonds3

About 2-aminobutyl hypochlorite;N,N-dimethylmethanamine

2-aminobutyl hypochlorite;N,N-dimethylmethanamine (PubChem CID 88777297) has the molecular formula C7H19ClN2O and a molecular weight of 182.69 g/mol. Its IUPAC name is 2-aminobutyl hypochlorite;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-aminobutyl hypochlorite;N,N-dimethylmethanamine
PubChem CID88777297
Molecular FormulaC7H19ClN2O
Molecular Weight182.69 g/mol
Exact Mass182.12
IUPAC Name2-aminobutyl hypochlorite;N,N-dimethylmethanamine
SMILESCCC(N)COCl.CN(C)C
InChIInChI=1S/C4H10ClNO.C3H9N/c1-2-4(6)3-7-5;1-4(2)3/h4H,2-3,6H2,1H3;1-3H3
InChIKeySUMBFYYRHHKXEB-UHFFFAOYSA-N
XLogP1.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloropropan-1-amine;N,N-dimethylmethanamine
CID 87947838
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
pentan-3-amine;hydroiodide
CID 173436389
2-aminobutyl nitrite
CID 87072378
1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
CID 172681009
(2S)-1-chlorobutan-2-amine
CID 130722137
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390
2-aminobutyl 2-methylpropanoate
CID 123412425
(5R)-heptane-3,5-diamine
CID 118180613
7-(2-aminobutoxy)heptan-3-amine
CID 174656192
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876

Frequently Asked Questions

What is the IUPAC name of 2-aminobutyl hypochlorite;N,N-dimethylmethanamine?
The IUPAC name of 2-aminobutyl hypochlorite;N,N-dimethylmethanamine (CID 88777297) is 2-aminobutyl hypochlorite;N,N-dimethylmethanamine.
What is the SMILES notation for 2-aminobutyl hypochlorite;N,N-dimethylmethanamine?
The canonical SMILES for 2-aminobutyl hypochlorite;N,N-dimethylmethanamine is CCC(N)COCl.CN(C)C.
What is the InChIKey of 2-aminobutyl hypochlorite;N,N-dimethylmethanamine?
The InChIKey is SUMBFYYRHHKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO.C3H9N/c1-2-4(6)3-7-5;1-4(2)3/h4H,2-3,6H2,1H3;1-3H3.
What are the key properties of 2-aminobutyl hypochlorite;N,N-dimethylmethanamine?
2-aminobutyl hypochlorite;N,N-dimethylmethanamine has a molecular weight of 182.69 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutyl hypochlorite;N,N-dimethylmethanamine is sourced from PubChem (CID 88777297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).