2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol

C14H27N3O — CID 134406736

IUPAC2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol
SMILESCCN(CCNCCO)CC1=C(C)C=C(C)NC1
InChIInChI=1S/C14H27N3O/c1-4-17(7-5-15-6-8-18)11-14-10-16-13(3)9-12(14)2/h9,15-16,18H,4-8,10-11H2,1-3H3
InChIKeyOGYVMIPZFPNERU-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.71
Rot. Bonds8

About 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol

2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol (PubChem CID 134406736) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol
PubChem CID134406736
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol
SMILESCCN(CCNCCO)CC1=C(C)C=C(C)NC1
InChIInChI=1S/C14H27N3O/c1-4-17(7-5-15-6-8-18)11-14-10-16-13(3)9-12(14)2/h9,15-16,18H,4-8,10-11H2,1-3H3
InChIKeyOGYVMIPZFPNERU-UHFFFAOYSA-N
XLogP0.71
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.71
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 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol (CID 134406736) is 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol is CCN(CCNCCO)CC1=C(C)C=C(C)NC1.
What is the InChIKey of 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol?
The InChIKey is OGYVMIPZFPNERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-17(7-5-15-6-8-18)11-14-10-16-13(3)9-12(14)2/h9,15-16,18H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol?
2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol has a molecular weight of 253.39 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl-ethylamino]ethylamino]ethanol is sourced from PubChem (CID 134406736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).