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

C13H26N2O — CID 62987612

IUPAC[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
SMILESNCC1(N2CCCOCC2)CCCCCC1
InChIInChI=1S/C13H26N2O/c14-12-13(6-3-1-2-4-7-13)15-8-5-10-16-11-9-15/h1-12,14H2
InChIKeyRENLVPBFPUTLKF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds2

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

[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine (PubChem CID 62987612) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
PubChem CID62987612
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
SMILESNCC1(N2CCCOCC2)CCCCCC1
InChIInChI=1S/C13H26N2O/c14-12-13(6-3-1-2-4-7-13)15-8-5-10-16-11-9-15/h1-12,14H2
InChIKeyRENLVPBFPUTLKF-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine
CID 35743000
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 55151816

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine (CID 62987612) is [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine is NCC1(N2CCCOCC2)CCCCCC1.
What is the InChIKey of [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine?
The InChIKey is RENLVPBFPUTLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-12-13(6-3-1-2-4-7-13)15-8-5-10-16-11-9-15/h1-12,14H2.
What are the key properties of [1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine?
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 2 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)cycloheptyl]methanamine is sourced from PubChem (CID 62987612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).