1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine

C12H29N3 — CID 63693980

IUPAC1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
SMILESCCNC(C)CCCN(C)CCN(C)C
InChIInChI=1S/C12H29N3/c1-6-13-12(2)8-7-9-15(5)11-10-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyZFCGWDWVHWLLGV-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.26
Rot. Bonds9

About 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine

1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine (PubChem CID 63693980) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
PubChem CID63693980
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
SMILESCCNC(C)CCCN(C)CCN(C)C
InChIInChI=1S/C12H29N3/c1-6-13-12(2)8-7-9-15(5)11-10-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyZFCGWDWVHWLLGV-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
CID 62983591
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
CID 63700649
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 23008779
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine (CID 63693980) is 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine is CCNC(C)CCCN(C)CCN(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The InChIKey is ZFCGWDWVHWLLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-13-12(2)8-7-9-15(5)11-10-14(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine?
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.26, 9 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]-4-N-ethyl-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 63693980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).