N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine

C17H39N3 — CID 159293818

IUPACN,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)CCN(C)CCN(C)C(CC)CC
InChIInChI=1S/C17H39N3/c1-8-16(9-2)19(6)14-12-18(5)13-15-20(7)17(10-3)11-4/h16-17H,8-15H2,1-7H3
InChIKeyLALQISKGPLWWMJ-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.16
Rot. Bonds12

About N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine

N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 159293818) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine
PubChem CID159293818
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)CCN(C)CCN(C)C(CC)CC
InChIInChI=1S/C17H39N3/c1-8-16(9-2)19(6)14-12-18(5)13-15-20(7)17(10-3)11-4/h16-17H,8-15H2,1-7H3
InChIKeyLALQISKGPLWWMJ-UHFFFAOYSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
N-(3-bromopropyl)-N-methylpentan-3-amine
CID 61286932
N-but-3-ynyl-N-methylpentan-3-amine
CID 63657244
N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
CID 62559325
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine (CID 159293818) is N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(C)CCN(C)CCN(C)C(CC)CC.
What is the InChIKey of N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is LALQISKGPLWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-8-16(9-2)19(6)14-12-18(5)13-15-20(7)17(10-3)11-4/h16-17H,8-15H2,1-7H3.
What are the key properties of N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine?
N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.16, 12 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(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 159293818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).