3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide

C13H25N3O2 — CID 64892988

IUPAC3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCN2CCCCCC2)CCOC1
InChIInChI=1S/C13H25N3O2/c14-13(5-10-18-11-13)12(17)15-6-9-16-7-3-1-2-4-8-16/h1-11,14H2,(H,15,17)
InChIKeyBZRKIMRGDSKJSE-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.10
Rot. Bonds4

About 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide

3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide (PubChem CID 64892988) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
PubChem CID64892988
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCN2CCCCCC2)CCOC1
InChIInChI=1S/C13H25N3O2/c14-13(5-10-18-11-13)12(17)15-6-9-16-7-3-1-2-4-8-16/h1-11,14H2,(H,15,17)
InChIKeyBZRKIMRGDSKJSE-UHFFFAOYSA-N
XLogP0.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79854985
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide (CID 64892988) is 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide is NC1(C(=O)NCCN2CCCCCC2)CCOC1.
What is the InChIKey of 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is BZRKIMRGDSKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-13(5-10-18-11-13)12(17)15-6-9-16-7-3-1-2-4-8-16/h1-11,14H2,(H,15,17).
What are the key properties of 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).