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

C12H29N3 — CID 79811625

IUPAC1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCN(CCN(C)C)CC(C)(N)CC
InChIInChI=1S/C12H29N3/c1-6-8-15(10-9-14(4)5)11-12(3,13)7-2/h6-11,13H2,1-5H3
InChIKeyMWXWJMRKJBYMAH-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.39
Rot. Bonds8

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

1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine (PubChem CID 79811625) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine
PubChem CID79811625
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCN(CCN(C)C)CC(C)(N)CC
InChIInChI=1S/C12H29N3/c1-6-8-15(10-9-14(4)5)11-12(3,13)7-2/h6-11,13H2,1-5H3
InChIKeyMWXWJMRKJBYMAH-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000
N'-[2-(dimethylamino)ethyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropan-2-amine
CID 87733382
1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62625207
1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 158877241
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 62261172
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
N'-[2-(bromomethyl)-3,3-dimethylbutyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65015744
2-cyclopropyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 60867915
4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
CID 65248284
Tripropylamineborane
CID 21315686

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine (CID 79811625) is 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine is CCCN(CCN(C)C)CC(C)(N)CC.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine?
The InChIKey is MWXWJMRKJBYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-8-15(10-9-14(4)5)11-12(3,13)7-2/h6-11,13H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.39, 8 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]-2-methyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79811625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).