N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine

C16H32N2 — CID 138736623

IUPACN-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine
SMILESC=C(CCC(C)(C)C)NCNC(=C)CC(C)(C)C
InChIInChI=1S/C16H32N2/c1-13(9-10-15(3,4)5)17-12-18-14(2)11-16(6,7)8/h17-18H,1-2,9-12H2,3-8H3
InChIKeyRJOCZHIPGUWUDG-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.41
Rot. Bonds7

About N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine

N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine (PubChem CID 138736623) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine.

Molecular Properties

Compound NameN-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine
PubChem CID138736623
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine
SMILESC=C(CCC(C)(C)C)NCNC(=C)CC(C)(C)C
InChIInChI=1S/C16H32N2/c1-13(9-10-15(3,4)5)17-12-18-14(2)11-16(6,7)8/h17-18H,1-2,9-12H2,3-8H3
InChIKeyRJOCZHIPGUWUDG-UHFFFAOYSA-N
XLogP4.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine?
The IUPAC name of N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine (CID 138736623) is N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine.
What is the SMILES notation for N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine?
The canonical SMILES for N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine is C=C(CCC(C)(C)C)NCNC(=C)CC(C)(C)C.
What is the InChIKey of N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine?
The InChIKey is RJOCZHIPGUWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(9-10-15(3,4)5)17-12-18-14(2)11-16(6,7)8/h17-18H,1-2,9-12H2,3-8H3.
What are the key properties of N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine?
N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine has a molecular weight of 252.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 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'-(4,4-dimethylpent-1-en-2-yl)methanediamine is sourced from PubChem (CID 138736623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).