1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine

C16H32N2 — CID 143357064

IUPAC1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(NC(CC)C(C)C)NC(C(=C)C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-10-14(11(2)3)17-13(6)18-15(12(4)5)16(7,8)9/h11,14-15,17-18H,4,6,10H2,1-3,5,7-9H3
InChIKeyRKMRTHLICOPPGC-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.06
Rot. Bonds7

About 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine

1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine (PubChem CID 143357064) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
PubChem CID143357064
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(NC(CC)C(C)C)NC(C(=C)C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-10-14(11(2)3)17-13(6)18-15(12(4)5)16(7,8)9/h11,14-15,17-18H,4,6,10H2,1-3,5,7-9H3
InChIKeyRKMRTHLICOPPGC-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine (CID 143357064) is 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine is C=C(NC(CC)C(C)C)NC(C(=C)C)C(C)(C)C.
What is the InChIKey of 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The InChIKey is RKMRTHLICOPPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-10-14(11(2)3)17-13(6)18-15(12(4)5)16(7,8)9/h11,14-15,17-18H,4,6,10H2,1-3,5,7-9H3.
What are the key properties of 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine has a molecular weight of 252.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 143357064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).