2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine

C20H40N2 — CID 126746319

IUPAC2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine
SMILESC=C(NCC(C)(C)CC(C)CCNC(=C)C(C)CC)C(C)C
InChIInChI=1S/C20H40N2/c1-10-17(5)19(7)21-12-11-16(4)13-20(8,9)14-22-18(6)15(2)3/h15-17,21-22H,6-7,10-14H2,1-5,8-9H3
InChIKeyNBQBQTZEKZSIFR-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.34
Rot. Bonds12

About 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine

2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine (PubChem CID 126746319) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine
PubChem CID126746319
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine
SMILESC=C(NCC(C)(C)CC(C)CCNC(=C)C(C)CC)C(C)C
InChIInChI=1S/C20H40N2/c1-10-17(5)19(7)21-12-11-16(4)13-20(8,9)14-22-18(6)15(2)3/h15-17,21-22H,6-7,10-14H2,1-5,8-9H3
InChIKeyNBQBQTZEKZSIFR-UHFFFAOYSA-N
XLogP5.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine?
The IUPAC name of 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine (CID 126746319) is 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine.
What is the SMILES notation for 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine?
The canonical SMILES for 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine is C=C(NCC(C)(C)CC(C)CCNC(=C)C(C)CC)C(C)C.
What is the InChIKey of 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine?
The InChIKey is NBQBQTZEKZSIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-10-17(5)19(7)21-12-11-16(4)13-20(8,9)14-22-18(6)15(2)3/h15-17,21-22H,6-7,10-14H2,1-5,8-9H3.
What are the key properties of 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine?
2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine has a molecular weight of 308.55 g/mol, XLogP of 5.34, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 126746319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).