2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol

C15H26N4O — CID 107214045

IUPAC2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
SMILESCc1cc(C)c(CN)c(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C15H26N4O/c1-12-10-13(2)17-15(14(12)11-16)19-5-3-4-18(6-7-19)8-9-20/h10,20H,3-9,11,16H2,1-2H3
InChIKeyCOPJPGOYQACMSY-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.66
Rot. Bonds4

About 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol

2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107214045) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107214045
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
SMILESCc1cc(C)c(CN)c(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C15H26N4O/c1-12-10-13(2)17-15(14(12)11-16)19-5-3-4-18(6-7-19)8-9-20/h10,20H,3-9,11,16H2,1-2H3
InChIKeyCOPJPGOYQACMSY-UHFFFAOYSA-N
XLogP0.66
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol (CID 107214045) is 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol is Cc1cc(C)c(CN)c(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is COPJPGOYQACMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-10-13(2)17-15(14(12)11-16)19-5-3-4-18(6-7-19)8-9-20/h10,20H,3-9,11,16H2,1-2H3.
What are the key properties of 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107214045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).