[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine

C16H32N2O — CID 65089002

IUPAC[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
SMILESCCCC1CCCC(CN)(N2CCCOCC2)CC1
InChIInChI=1S/C16H32N2O/c1-2-5-15-6-3-8-16(14-17,9-7-15)18-10-4-12-19-13-11-18/h15H,2-14,17H2,1H3
InChIKeyLFYOYJNKNBDBGY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds4

About [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine

[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine (PubChem CID 65089002) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
PubChem CID65089002
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
SMILESCCCC1CCCC(CN)(N2CCCOCC2)CC1
InChIInChI=1S/C16H32N2O/c1-2-5-15-6-3-8-16(14-17,9-7-15)18-10-4-12-19-13-11-18/h15H,2-14,17H2,1H3
InChIKeyLFYOYJNKNBDBGY-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
CID 104958066
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
CID 64529304
[1-(3-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
CID 54932678
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79917366

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine?
The IUPAC name of [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine (CID 65089002) is [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine.
What is the SMILES notation for [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine?
The canonical SMILES for [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine is CCCC1CCCC(CN)(N2CCCOCC2)CC1.
What is the InChIKey of [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine?
The InChIKey is LFYOYJNKNBDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-5-15-6-3-8-16(14-17,9-7-15)18-10-4-12-19-13-11-18/h15H,2-14,17H2,1H3.
What are the key properties of [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine?
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine is sourced from PubChem (CID 65089002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).