N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine

C15H30N2O — CID 63624507

IUPACN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC(C)CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-3-16-11-15(7-10-18-13-15)12-17-8-4-5-14(2)6-9-17/h14,16H,3-13H2,1-2H3
InChIKeyQXBCPQFVKRZERS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 63624507) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID63624507
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC(C)CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-3-16-11-15(7-10-18-13-15)12-17-8-4-5-14(2)6-9-17/h14,16H,3-13H2,1-2H3
InChIKeyQXBCPQFVKRZERS-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 63624507) is N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCCC(C)CC2)CCOC1.
What is the InChIKey of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is QXBCPQFVKRZERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-11-15(7-10-18-13-15)12-17-8-4-5-14(2)6-9-17/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63624507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).