4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine

C16H32N4 — CID 155150700

IUPAC4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine
SMILESCCCCCCC1(N)CNCC=C1N1CNC(C)C1C
InChIInChI=1S/C16H32N4/c1-4-5-6-7-9-16(17)11-18-10-8-15(16)20-12-19-13(2)14(20)3/h8,13-14,18-19H,4-7,9-12,17H2,1-3H3
InChIKeyYXYMUACNAHSAGE-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.78
Rot. Bonds6

About 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine

4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine (PubChem CID 155150700) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine
PubChem CID155150700
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine
SMILESCCCCCCC1(N)CNCC=C1N1CNC(C)C1C
InChIInChI=1S/C16H32N4/c1-4-5-6-7-9-16(17)11-18-10-8-15(16)20-12-19-13(2)14(20)3/h8,13-14,18-19H,4-7,9-12,17H2,1-3H3
InChIKeyYXYMUACNAHSAGE-UHFFFAOYSA-N
XLogP1.78
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine?
The IUPAC name of 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine (CID 155150700) is 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine.
What is the SMILES notation for 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine?
The canonical SMILES for 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine is CCCCCCC1(N)CNCC=C1N1CNC(C)C1C.
What is the InChIKey of 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine?
The InChIKey is YXYMUACNAHSAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-4-5-6-7-9-16(17)11-18-10-8-15(16)20-12-19-13(2)14(20)3/h8,13-14,18-19H,4-7,9-12,17H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine?
4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine has a molecular weight of 280.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazolidin-1-yl)-3-hexyl-2,6-dihydro-1H-pyridin-3-amine is sourced from PubChem (CID 155150700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).