3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine

C12H29N3 — CID 63695556

IUPAC3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine
SMILESCCNC(C)C(C)N(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-7-13-11(2)12(3)15(6)10-8-9-14(4)5/h11-13H,7-10H2,1-6H3
InChIKeyKVURELUXUNODPZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.26
Rot. Bonds8

About 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine

3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine (PubChem CID 63695556) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine
PubChem CID63695556
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine
SMILESCCNC(C)C(C)N(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-7-13-11(2)12(3)15(6)10-8-9-14(4)5/h11-13H,7-10H2,1-6H3
InChIKeyKVURELUXUNODPZ-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63725992
2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 63465127
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997818
1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
CID 102992396
N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
CID 63693434
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 63693980
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine?
The IUPAC name of 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine (CID 63695556) is 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine.
What is the SMILES notation for 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine?
The canonical SMILES for 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine is CCNC(C)C(C)N(C)CCCN(C)C.
What is the InChIKey of 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine?
The InChIKey is KVURELUXUNODPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-7-13-11(2)12(3)15(6)10-8-9-14(4)5/h11-13H,7-10H2,1-6H3.
What are the key properties of 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine?
3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine is sourced from PubChem (CID 63695556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).