1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine

C16H29N3 — CID 91132155

IUPAC1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine
SMILESCC=C(C)C=CC(=C(C)CC)N1CC(N)NC1(C)C
InChIInChI=1S/C16H29N3/c1-7-12(3)9-10-14(13(4)8-2)19-11-15(17)18-16(19,5)6/h7,9-10,15,18H,8,11,17H2,1-6H3
InChIKeyJGFPDCAFTAEPNU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.12
Rot. Bonds4

About 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine

1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine (PubChem CID 91132155) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine.

Molecular Properties

Compound Name1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine
PubChem CID91132155
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine
SMILESCC=C(C)C=CC(=C(C)CC)N1CC(N)NC1(C)C
InChIInChI=1S/C16H29N3/c1-7-12(3)9-10-14(13(4)8-2)19-11-15(17)18-16(19,5)6/h7,9-10,15,18H,8,11,17H2,1-6H3
InChIKeyJGFPDCAFTAEPNU-UHFFFAOYSA-N
XLogP3.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine?
The IUPAC name of 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine (CID 91132155) is 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine.
What is the SMILES notation for 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine?
The canonical SMILES for 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine is CC=C(C)C=CC(=C(C)CC)N1CC(N)NC1(C)C.
What is the InChIKey of 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine?
The InChIKey is JGFPDCAFTAEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-12(3)9-10-14(13(4)8-2)19-11-15(17)18-16(19,5)6/h7,9-10,15,18H,8,11,17H2,1-6H3.
What are the key properties of 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine?
1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine is sourced from PubChem (CID 91132155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).