1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine

C12H29N3 — CID 63700771

IUPAC1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-5-6-8-12(13)11-15(4)10-7-9-14(2)3/h12H,5-11,13H2,1-4H3
InChIKeyXWOYSIZXDXUPNC-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.39
Rot. Bonds9

About 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine

1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine (PubChem CID 63700771) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
PubChem CID63700771
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-5-6-8-12(13)11-15(4)10-7-9-14(2)3/h12H,5-11,13H2,1-4H3
InChIKeyXWOYSIZXDXUPNC-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
CID 61428857
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
CID 60852628
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
icosane-5,10,16-triamine
CID 88870264
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine (CID 63700771) is 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine is CCCCC(N)CN(C)CCCN(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine?
The InChIKey is XWOYSIZXDXUPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-5-6-8-12(13)11-15(4)10-7-9-14(2)3/h12H,5-11,13H2,1-4H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine?
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine is sourced from PubChem (CID 63700771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).