N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

C15H30N2O — CID 64570567

IUPACN-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CC1CCCCCN1)C(C)C1CC1
InChIInChI=1S/C15H30N2O/c1-13(14-7-8-14)17(10-11-18-2)12-15-6-4-3-5-9-16-15/h13-16H,3-12H2,1-2H3
InChIKeyVOLGKOKHEFDVPD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds7

About N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (PubChem CID 64570567) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
PubChem CID64570567
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CC1CCCCCN1)C(C)C1CC1
InChIInChI=1S/C15H30N2O/c1-13(14-7-8-14)17(10-11-18-2)12-15-6-4-3-5-9-16-15/h13-16H,3-12H2,1-2H3
InChIKeyVOLGKOKHEFDVPD-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine
CID 114421390
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
CID 106617658
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
CID 55002787
N-(1-cyclopropyl-2-methoxyethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622043
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55093831
1-methoxy-N-(2-methoxyethyl)-N-(3-pyrrolidin-2-ylpropyl)propan-2-amine
CID 62480833

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (CID 64570567) is N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is COCCN(CC1CCCCCN1)C(C)C1CC1.
What is the InChIKey of N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is VOLGKOKHEFDVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(14-7-8-14)17(10-11-18-2)12-15-6-4-3-5-9-16-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 64570567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).