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

C12H29N3 — CID 63701294

IUPAC1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-6-8-12(2,13)11-15(5)10-7-9-14(3)4/h6-11,13H2,1-5H3
InChIKeyFPFCNKFBMIMGIF-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.39
Rot. Bonds8

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

1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine (PubChem CID 63701294) 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,2-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
PubChem CID63701294
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-6-8-12(2,13)11-15(5)10-7-9-14(3)4/h6-11,13H2,1-5H3
InChIKeyFPFCNKFBMIMGIF-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-methoxyethyl)-1-N,2-dimethylpentane-1,2-diamine
CID 61428179
2-amino-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63699790
N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62263205
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63699320
1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 63960051
N-tert-butyl-N'-[3-(dimethylamino)propyl]-N',2,2-trimethylpropane-1,3-diamine
CID 63699673
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
3-[3-(dimethylamino)propyl-methylamino]-2-methyl-2-(propylamino)propanamide
CID 55226009
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66453701
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 61415050

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine (CID 63701294) is 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine is CCCC(C)(N)CN(C)CCCN(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine?
The InChIKey is FPFCNKFBMIMGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-8-12(2,13)11-15(5)10-7-9-14(3)4/h6-11,13H2,1-5H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine?
1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-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-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine is sourced from PubChem (CID 63701294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).