N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline

C15H24N2O — CID 62966555

IUPACN-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
SMILESCC1CN(CCCNc2ccccc2)CCCO1
InChIInChI=1S/C15H24N2O/c1-14-13-17(11-6-12-18-14)10-5-9-16-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyBJPZDRYMGWIGJO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline

N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline (PubChem CID 62966555) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
PubChem CID62966555
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
SMILESCC1CN(CCCNc2ccccc2)CCCO1
InChIInChI=1S/C15H24N2O/c1-14-13-17(11-6-12-18-14)10-5-9-16-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyBJPZDRYMGWIGJO-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
N-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]aniline
CID 81194517
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62988696
N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline?
The IUPAC name of N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline (CID 62966555) is N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline.
What is the SMILES notation for N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline?
The canonical SMILES for N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline is CC1CN(CCCNc2ccccc2)CCCO1.
What is the InChIKey of N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline?
The InChIKey is BJPZDRYMGWIGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14-13-17(11-6-12-18-14)10-5-9-16-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3.
What are the key properties of N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline?
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline is sourced from PubChem (CID 62966555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).