N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

C17H39N3 — CID 63699320

IUPACN-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)CCCN(C)C
InChIInChI=1S/C17H39N3/c1-8-10-17(4,14-18-13-16(2)3)15-20(7)12-9-11-19(5)6/h16,18H,8-15H2,1-7H3
InChIKeyUIRKCTSRFVGZEA-UHFFFAOYSA-N
MW285.52 g/mol
LogP2.92
Rot. Bonds12

About N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (PubChem CID 63699320) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
PubChem CID63699320
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)CCCN(C)C
InChIInChI=1S/C17H39N3/c1-8-10-17(4,14-18-13-16(2)3)15-20(7)12-9-11-19(5)6/h16,18H,8-15H2,1-7H3
InChIKeyUIRKCTSRFVGZEA-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 81075032
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211040
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
CID 63701294

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (CID 63699320) is N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The InChIKey is UIRKCTSRFVGZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-8-10-17(4,14-18-13-16(2)3)15-20(7)12-9-11-19(5)6/h16,18H,8-15H2,1-7H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine has a molecular weight of 285.52 g/mol, XLogP of 2.92, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).