1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine

C10H25N3 — CID 63694501

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CN(C)CCN(C)C)NC
InChIInChI=1S/C10H25N3/c1-6-10(11-2)9-13(5)8-7-12(3)4/h10-11H,6-9H2,1-5H3
InChIKeyNATVJKXKALFASZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.48
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 63694501) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
PubChem CID63694501
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CN(C)CCN(C)C)NC
InChIInChI=1S/C10H25N3/c1-6-10(11-2)9-13(5)8-7-12(3)4/h10-11H,6-9H2,1-5H3
InChIKeyNATVJKXKALFASZ-UHFFFAOYSA-N
XLogP0.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521
molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
CID 176566866
2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62039490
2-(methylamino)-3-[methyl(propyl)amino]propan-1-ol
CID 64795916
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 155737980
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
CID 88826921
CID 88826921
CID 173338058
CID 173338058
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
CID 62044232
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine (CID 63694501) is 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine is CCC(CN(C)CCN(C)C)NC.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is NATVJKXKALFASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-6-10(11-2)9-13(5)8-7-12(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 63694501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).