N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine

C17H39N3 — CID 167171519

IUPACN,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
SMILESCCCC(C)CCN(C)CCN(C)CCN(C)CCC
InChIInChI=1S/C17H39N3/c1-7-9-17(3)10-12-19(5)14-16-20(6)15-13-18(4)11-8-2/h17H,7-16H2,1-6H3
InChIKeyCVEFSZWBCYQFEO-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.02
Rot. Bonds13

About N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine

N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine (PubChem CID 167171519) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
PubChem CID167171519
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
SMILESCCCC(C)CCN(C)CCN(C)CCN(C)CCC
InChIInChI=1S/C17H39N3/c1-7-9-17(3)10-12-19(5)14-16-20(6)15-13-18(4)11-8-2/h17H,7-16H2,1-6H3
InChIKeyCVEFSZWBCYQFEO-UHFFFAOYSA-N
XLogP3.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
4-methylnonane;N-methyl-N-propylpentan-1-amine
CID 142379578
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
4-methylheptane;propane
CID 142171269
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
CID 171788933
butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
CID 171788496

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine (CID 167171519) is N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine is CCCC(C)CCN(C)CCN(C)CCN(C)CCC.
What is the InChIKey of N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine?
The InChIKey is CVEFSZWBCYQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-7-9-17(3)10-12-19(5)14-16-20(6)15-13-18(4)11-8-2/h17H,7-16H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine?
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.02, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 167171519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).