3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol

C15H32N2O — CID 114230934

IUPAC3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
SMILESCCNCC1(CN(C)CCCO)CCCCCC1
InChIInChI=1S/C15H32N2O/c1-3-16-13-15(9-6-4-5-7-10-15)14-17(2)11-8-12-18/h16,18H,3-14H2,1-2H3
InChIKeyVNWDBPVYBPADNQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds8

About 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol

3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol (PubChem CID 114230934) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
PubChem CID114230934
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
SMILESCCNCC1(CN(C)CCCO)CCCCCC1
InChIInChI=1S/C15H32N2O/c1-3-16-13-15(9-6-4-5-7-10-15)14-17(2)11-8-12-18/h16,18H,3-14H2,1-2H3
InChIKeyVNWDBPVYBPADNQ-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699135
5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
CID 107204564
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
1-[[3-(ethylamino)propyl-methylamino]methyl]cyclopentan-1-ol
CID 114952474
3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
CID 102870849
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255885
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol (CID 114230934) is 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol is CCNCC1(CN(C)CCCO)CCCCCC1.
What is the InChIKey of 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol?
The InChIKey is VNWDBPVYBPADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-16-13-15(9-6-4-5-7-10-15)14-17(2)11-8-12-18/h16,18H,3-14H2,1-2H3.
What are the key properties of 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol?
3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 114230934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).