1-ethylazepane-4-carboxamide

C9H18N2O — CID 69402174

IUPAC1-ethylazepane-4-carboxamide
SMILESCCN1CCCC(C(N)=O)CC1
InChIInChI=1S/C9H18N2O/c1-2-11-6-3-4-8(5-7-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyOXJGCBBPINZSNZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About 1-ethylazepane-4-carboxamide

1-ethylazepane-4-carboxamide (PubChem CID 69402174) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-ethylazepane-4-carboxamide.

Molecular Properties

Compound Name1-ethylazepane-4-carboxamide
PubChem CID69402174
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-ethylazepane-4-carboxamide
SMILESCCN1CCCC(C(N)=O)CC1
InChIInChI=1S/C9H18N2O/c1-2-11-6-3-4-8(5-7-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyOXJGCBBPINZSNZ-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylazepane-4-carboxamide?
The IUPAC name of 1-ethylazepane-4-carboxamide (CID 69402174) is 1-ethylazepane-4-carboxamide.
What is the SMILES notation for 1-ethylazepane-4-carboxamide?
The canonical SMILES for 1-ethylazepane-4-carboxamide is CCN1CCCC(C(N)=O)CC1.
What is the InChIKey of 1-ethylazepane-4-carboxamide?
The InChIKey is OXJGCBBPINZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-11-6-3-4-8(5-7-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 1-ethylazepane-4-carboxamide?
1-ethylazepane-4-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazepane-4-carboxamide is sourced from PubChem (CID 69402174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).