N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine

C15H32N2 — CID 167295356

IUPACN'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine
SMILESC=C(CCC(C)(C)C)N(C)CNCC(C)(C)C
InChIInChI=1S/C15H32N2/c1-13(9-10-14(2,3)4)17(8)12-16-11-15(5,6)7/h16H,1,9-12H2,2-8H3
InChIKeyXRAMHUJSOJXWNP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.85
Rot. Bonds6

About N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine

N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine (PubChem CID 167295356) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine
PubChem CID167295356
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine
SMILESC=C(CCC(C)(C)C)N(C)CNCC(C)(C)C
InChIInChI=1S/C15H32N2/c1-13(9-10-14(2,3)4)17(8)12-16-11-15(5,6)7/h16H,1,9-12H2,2-8H3
InChIKeyXRAMHUJSOJXWNP-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine
CID 138736623
5-(2,2-Dimethylpropyl)-3-methyl-1,2-dihydroimidazole
CID 143329303
N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
CID 146326856
N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine
CID 146366340
N'-(3,3-dimethylbutyl)-N-methyl-N'-(3-methylbut-1-en-2-yl)methanediamine
CID 170071579
5-N-[1-(2,2-dimethylbutylamino)ethenyl]-2-N,6,6-trimethylhept-1-ene-2,5-diamine
CID 143356049

Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine?
The IUPAC name of N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine (CID 167295356) is N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine is C=C(CCC(C)(C)C)N(C)CNCC(C)(C)C.
What is the InChIKey of N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine?
The InChIKey is XRAMHUJSOJXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(9-10-14(2,3)4)17(8)12-16-11-15(5,6)7/h16H,1,9-12H2,2-8H3.
What are the key properties of N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine?
N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine has a molecular weight of 240.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethylhex-1-en-2-yl)-N-(2,2-dimethylpropyl)-N'-methylmethanediamine is sourced from PubChem (CID 167295356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).