4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine

C20H34N2 — CID 166894869

IUPAC4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine
SMILESC=CC(NC(=C)C(N(C)C)C(C)(C)C1=CCCC=C1)C(C)C
InChIInChI=1S/C20H34N2/c1-9-18(15(2)3)21-16(4)19(22(7)8)20(5,6)17-13-11-10-12-14-17/h9,11,13-15,18-19,21H,1,4,10,12H2,2-3,5-8H3
InChIKeyVEUFSFXFRDDBFS-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.53
Rot. Bonds8

About 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine

4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine (PubChem CID 166894869) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine
PubChem CID166894869
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine
SMILESC=CC(NC(=C)C(N(C)C)C(C)(C)C1=CCCC=C1)C(C)C
InChIInChI=1S/C20H34N2/c1-9-18(15(2)3)21-16(4)19(22(7)8)20(5,6)17-13-11-10-12-14-17/h9,11,13-15,18-19,21H,1,4,10,12H2,2-3,5-8H3
InChIKeyVEUFSFXFRDDBFS-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
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 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine (CID 166894869) is 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine is C=CC(NC(=C)C(N(C)C)C(C)(C)C1=CCCC=C1)C(C)C.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine?
The InChIKey is VEUFSFXFRDDBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-9-18(15(2)3)21-16(4)19(22(7)8)20(5,6)17-13-11-10-12-14-17/h9,11,13-15,18-19,21H,1,4,10,12H2,2-3,5-8H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine?
4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine has a molecular weight of 302.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-3-N,3-N,4-trimethyl-2-N-(4-methylpent-1-en-3-yl)pent-1-ene-2,3-diamine is sourced from PubChem (CID 166894869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).