N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine

C22H45N3 — CID 146366340

IUPACN-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine
SMILESC=C(CC(C)(C)C)N(C)CCCCCN(C)C(=C)N(C)CC(C)(C)C
InChIInChI=1S/C22H45N3/c1-19(17-21(3,4)5)23(9)15-13-12-14-16-24(10)20(2)25(11)18-22(6,7)8/h1-2,12-18H2,3-11H3
InChIKeyWMFSQBVMORWLCO-UHFFFAOYSA-N
MW351.62 g/mol
LogP5.42
Rot. Bonds11

About N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine

N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine (PubChem CID 146366340) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine
PubChem CID146366340
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine
SMILESC=C(CC(C)(C)C)N(C)CCCCCN(C)C(=C)N(C)CC(C)(C)C
InChIInChI=1S/C22H45N3/c1-19(17-21(3,4)5)23(9)15-13-12-14-16-24(10)20(2)25(11)18-22(6,7)8/h1-2,12-18H2,3-11H3
InChIKeyWMFSQBVMORWLCO-UHFFFAOYSA-N
XLogP5.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 55.42
H-Bond Donors ≤ 50
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,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine
CID 129230490
1-N'-[2-[3,3-dimethylbut-1-en-2-yl(methyl)amino]ethyl]-1-N-(3,3-dimethylbutyl)-1-N,1-N'-dimethylethene-1,1-diamine
CID 166667604
N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine
CID 167295356
(E)-1-N'-(4,4-dimethylpent-1-en-2-yl)-1-N,1-N,1-N',4,4-pentamethylpent-1-ene-1,1-diamine
CID 170085633
N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 170265517
1,2,4-tributyl-3-methyl-2H-imidazole
CID 160418816
1,3,4-tripentyl-2H-imidazole
CID 175115544

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine (CID 146366340) is N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine is C=C(CC(C)(C)C)N(C)CCCCCN(C)C(=C)N(C)CC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine?
The InChIKey is WMFSQBVMORWLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3/c1-19(17-21(3,4)5)23(9)15-13-12-14-16-24(10)20(2)25(11)18-22(6,7)8/h1-2,12-18H2,3-11H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine?
N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine has a molecular weight of 351.62 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 146366340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).