2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol

C15H26N2O2 — CID 170213917

IUPAC2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol
SMILESCC1CN(C(C)C)/C=C\C/C(CCOCO)=C\C=N/1
InChIInChI=1S/C15H26N2O2/c1-13(2)17-9-4-5-15(7-10-19-12-18)6-8-16-14(3)11-17/h4,6,8-9,13-14,18H,5,7,10-12H2,1-3H3/b9-4-,15-6+,16-8-
InChIKeyMDZZGTNMKUNXRY-XEALBXCUSA-N
MW266.38 g/mol
LogP2.36
Rot. Bonds5

About 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol

2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol (PubChem CID 170213917) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol.

Molecular Properties

Compound Name2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol
PubChem CID170213917
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol
SMILESCC1CN(C(C)C)/C=C\C/C(CCOCO)=C\C=N/1
InChIInChI=1S/C15H26N2O2/c1-13(2)17-9-4-5-15(7-10-19-12-18)6-8-16-14(3)11-17/h4,6,8-9,13-14,18H,5,7,10-12H2,1-3H3/b9-4-,15-6+,16-8-
InChIKeyMDZZGTNMKUNXRY-XEALBXCUSA-N
XLogP2.36
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol?
The IUPAC name of 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol (CID 170213917) is 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol.
What is the SMILES notation for 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol?
The canonical SMILES for 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol is CC1CN(C(C)C)/C=C\C/C(CCOCO)=C\C=N/1.
What is the InChIKey of 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol?
The InChIKey is MDZZGTNMKUNXRY-XEALBXCUSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(2)17-9-4-5-15(7-10-19-12-18)6-8-16-14(3)11-17/h4,6,8-9,13-14,18H,5,7,10-12H2,1-3H3/b9-4-,15-6+,16-8-.
What are the key properties of 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol?
2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol has a molecular weight of 266.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,8E)-2-methyl-4-propan-2-yl-3,7-dihydro-2H-1,4-diazecin-8-yl]ethoxymethanol is sourced from PubChem (CID 170213917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).