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

C12H29N3 — CID 62559325

IUPACN',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
SMILESCCC(CC)N(C)CCNCCN(C)C
InChIInChI=1S/C12H29N3/c1-6-12(7-2)15(5)11-9-13-8-10-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeySGNASDPQXUUKHS-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.26
Rot. Bonds9

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

N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine (PubChem CID 62559325) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
PubChem CID62559325
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
SMILESCCC(CC)N(C)CCNCCN(C)C
InChIInChI=1S/C12H29N3/c1-6-12(7-2)15(5)11-9-13-8-10-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeySGNASDPQXUUKHS-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 159293818
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 62561559
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 62561180
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine (CID 62559325) is N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine is CCC(CC)N(C)CCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is SGNASDPQXUUKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-12(7-2)15(5)11-9-13-8-10-14(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 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]ethane-1,2-diamine is sourced from PubChem (CID 62559325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).