methanamine;4-propyl-1,4-oxazepane

C9H22N2O — CID 169188972

IUPACmethanamine;4-propyl-1,4-oxazepane
SMILESCCCN1CCCOCC1.CN
InChIInChI=1S/C8H17NO.CH5N/c1-2-4-9-5-3-7-10-8-6-9;1-2/h2-8H2,1H3;2H2,1H3
InChIKeyRUCQWHPVZWOBIL-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.69
Rot. Bonds2

About methanamine;4-propyl-1,4-oxazepane

methanamine;4-propyl-1,4-oxazepane (PubChem CID 169188972) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is methanamine;4-propyl-1,4-oxazepane.

Molecular Properties

Compound Namemethanamine;4-propyl-1,4-oxazepane
PubChem CID169188972
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Namemethanamine;4-propyl-1,4-oxazepane
SMILESCCCN1CCCOCC1.CN
InChIInChI=1S/C8H17NO.CH5N/c1-2-4-9-5-3-7-10-8-6-9;1-2/h2-8H2,1H3;2H2,1H3
InChIKeyRUCQWHPVZWOBIL-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992
4-hexyl-1,4-oxazepane
CID 166849903
CID 68598978
CID 68598978
4-propyl-1-oxa-4,9-diazacycloundecane
CID 142313411
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
ethyl acetate;4-propylmorpholine
CID 160534633
1-propylpyrrolidine;hydrobromide
CID 173024709

Frequently Asked Questions

What is the IUPAC name of methanamine;4-propyl-1,4-oxazepane?
The IUPAC name of methanamine;4-propyl-1,4-oxazepane (CID 169188972) is methanamine;4-propyl-1,4-oxazepane.
What is the SMILES notation for methanamine;4-propyl-1,4-oxazepane?
The canonical SMILES for methanamine;4-propyl-1,4-oxazepane is CCCN1CCCOCC1.CN.
What is the InChIKey of methanamine;4-propyl-1,4-oxazepane?
The InChIKey is RUCQWHPVZWOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.CH5N/c1-2-4-9-5-3-7-10-8-6-9;1-2/h2-8H2,1H3;2H2,1H3.
What are the key properties of methanamine;4-propyl-1,4-oxazepane?
methanamine;4-propyl-1,4-oxazepane has a molecular weight of 174.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-propyl-1,4-oxazepane is sourced from PubChem (CID 169188972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).