2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine

C22H42N2 — CID 130374040

IUPAC2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine
SMILESC=C(CC(C)(C)C)NC(CC(C)C)C(=C)NC(CC(C)C)C(=C)C
InChIInChI=1S/C22H42N2/c1-15(2)12-20(17(5)6)24-19(8)21(13-16(3)4)23-18(7)14-22(9,10)11/h15-16,20-21,23-24H,5,7-8,12-14H2,1-4,6,9-11H3
InChIKeyNNUWCXHWRRPXEB-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.03
Rot. Bonds11

About 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine

2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine (PubChem CID 130374040) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine
PubChem CID130374040
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine
SMILESC=C(CC(C)(C)C)NC(CC(C)C)C(=C)NC(CC(C)C)C(=C)C
InChIInChI=1S/C22H42N2/c1-15(2)12-20(17(5)6)24-19(8)21(13-16(3)4)23-18(7)14-22(9,10)11/h15-16,20-21,23-24H,5,7-8,12-14H2,1-4,6,9-11H3
InChIKeyNNUWCXHWRRPXEB-UHFFFAOYSA-N
XLogP6.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.03
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 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine?
The IUPAC name of 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine (CID 130374040) is 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine?
The canonical SMILES for 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine is C=C(CC(C)(C)C)NC(CC(C)C)C(=C)NC(CC(C)C)C(=C)C.
What is the InChIKey of 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine?
The InChIKey is NNUWCXHWRRPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-15(2)12-20(17(5)6)24-19(8)21(13-16(3)4)23-18(7)14-22(9,10)11/h15-16,20-21,23-24H,5,7-8,12-14H2,1-4,6,9-11H3.
What are the key properties of 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine?
2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine has a molecular weight of 334.59 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylhex-1-en-3-yl)-3-N-(4,4-dimethylpent-1-en-2-yl)-5-methylhex-1-ene-2,3-diamine is sourced from PubChem (CID 130374040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).