4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine

C19H43N3 — CID 156821590

IUPAC4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine
SMILESCCC(C)(CC(C)N(C)CC(C)(CC)CN(C)C)CN(C)C
InChIInChI=1S/C19H43N3/c1-11-18(4,14-20(6)7)13-17(3)22(10)16-19(5,12-2)15-21(8)9/h17H,11-16H2,1-10H3
InChIKeyZJTJYCMKYWKRMS-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.65
Rot. Bonds11

About 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine

4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine (PubChem CID 156821590) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine
PubChem CID156821590
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC Name4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine
SMILESCCC(C)(CC(C)N(C)CC(C)(CC)CN(C)C)CN(C)C
InChIInChI=1S/C19H43N3/c1-11-18(4,14-20(6)7)13-17(3)22(10)16-19(5,12-2)15-21(8)9/h17H,11-16H2,1-10H3
InChIKeyZJTJYCMKYWKRMS-UHFFFAOYSA-N
XLogP3.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
CID 89276532
2-[(dimethylamino)methyl]-2-methylbutan-1-ol
CID 62270560
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine
CID 123327817
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
CID 104554726
N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
CID 126621627
2-methoxy-N,N,2-trimethylbutan-1-amine
CID 177005868
N,4-diethyl-N,2,4-trimethylhexan-1-amine
CID 123611396

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine?
The IUPAC name of 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine (CID 156821590) is 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine is CCC(C)(CC(C)N(C)CC(C)(CC)CN(C)C)CN(C)C.
What is the InChIKey of 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine?
The InChIKey is ZJTJYCMKYWKRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3/c1-11-18(4,14-20(6)7)13-17(3)22(10)16-19(5,12-2)15-21(8)9/h17H,11-16H2,1-10H3.
What are the key properties of 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine?
4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine has a molecular weight of 313.57 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(dimethylamino)methyl]-2-methylbutyl]-2-ethyl-1-N,1-N,4-N,2-tetramethylpentane-1,4-diamine is sourced from PubChem (CID 156821590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).