2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol

C15H30N2O — CID 114087668

IUPAC2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol
SMILESCCC1CN(C)CCCN1C1CCCCCC1O
InChIInChI=1S/C15H30N2O/c1-3-13-12-16(2)10-7-11-17(13)14-8-5-4-6-9-15(14)18/h13-15,18H,3-12H2,1-2H3
InChIKeyCRBYQQPCCVQOKU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol

2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol (PubChem CID 114087668) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol
PubChem CID114087668
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol
SMILESCCC1CN(C)CCCN1C1CCCCCC1O
InChIInChI=1S/C15H30N2O/c1-3-13-12-16(2)10-7-11-17(13)14-8-5-4-6-9-15(14)18/h13-15,18H,3-12H2,1-2H3
InChIKeyCRBYQQPCCVQOKU-UHFFFAOYSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine
CID 114086704
trans-(1S,2S)-2-(3-ethylmorpholin-4-yl)cyclohexan-1-ol
CID 102731928
trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732104
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
CID 83220364
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol?
The IUPAC name of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol (CID 114087668) is 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol is CCC1CN(C)CCCN1C1CCCCCC1O.
What is the InChIKey of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol?
The InChIKey is CRBYQQPCCVQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-13-12-16(2)10-7-11-17(13)14-8-5-4-6-9-15(14)18/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol?
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol is sourced from PubChem (CID 114087668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).