3-(1,4-oxazepan-4-yl)propan-1-amine

C8H18N2O — CID 59833420

IUPAC3-(1,4-oxazepan-4-yl)propan-1-amine
SMILESNCCCN1CCCOCC1
InChIInChI=1S/C8H18N2O/c9-3-1-4-10-5-2-7-11-8-6-10/h1-9H2
InChIKeyVQNDWTGSBSDETB-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.06
Rot. Bonds3

About 3-(1,4-oxazepan-4-yl)propan-1-amine

3-(1,4-oxazepan-4-yl)propan-1-amine (PubChem CID 59833420) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(1,4-oxazepan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4-oxazepan-4-yl)propan-1-amine
PubChem CID59833420
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(1,4-oxazepan-4-yl)propan-1-amine
SMILESNCCCN1CCCOCC1
InChIInChI=1S/C8H18N2O/c9-3-1-4-10-5-2-7-11-8-6-10/h1-9H2
InChIKeyVQNDWTGSBSDETB-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-morpholin-4-ylheptan-1-amine
CID 28596900
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
4-hexyl-1,4-oxazepane
CID 166849903
methanamine;4-propyl-1,4-oxazepane
CID 169188972
4-pent-4-ynyl-1,4-oxazepane
CID 115872934
3-morpholin-4-ylpropan-1-amine;oxepan-2-one
CID 86743370
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-oxazepan-4-yl)propan-1-amine?
The IUPAC name of 3-(1,4-oxazepan-4-yl)propan-1-amine (CID 59833420) is 3-(1,4-oxazepan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4-oxazepan-4-yl)propan-1-amine?
The canonical SMILES for 3-(1,4-oxazepan-4-yl)propan-1-amine is NCCCN1CCCOCC1.
What is the InChIKey of 3-(1,4-oxazepan-4-yl)propan-1-amine?
The InChIKey is VQNDWTGSBSDETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-3-1-4-10-5-2-7-11-8-6-10/h1-9H2.
What are the key properties of 3-(1,4-oxazepan-4-yl)propan-1-amine?
3-(1,4-oxazepan-4-yl)propan-1-amine has a molecular weight of 158.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-oxazepan-4-yl)propan-1-amine is sourced from PubChem (CID 59833420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).