4-aminoazepane-1-carbaldehyde

C7H14N2O — CID 87381262

IUPAC4-aminoazepane-1-carbaldehyde
SMILESNC1CCCN(C=O)CC1
InChIInChI=1S/C7H14N2O/c8-7-2-1-4-9(6-10)5-3-7/h6-7H,1-5,8H2
InChIKeyMSRZFXUDOLAYKW-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds1

About 4-aminoazepane-1-carbaldehyde

4-aminoazepane-1-carbaldehyde (PubChem CID 87381262) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-aminoazepane-1-carbaldehyde.

Molecular Properties

Compound Name4-aminoazepane-1-carbaldehyde
PubChem CID87381262
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-aminoazepane-1-carbaldehyde
SMILESNC1CCCN(C=O)CC1
InChIInChI=1S/C7H14N2O/c8-7-2-1-4-9(6-10)5-3-7/h6-7H,1-5,8H2
InChIKeyMSRZFXUDOLAYKW-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminoazepane-1-carbaldehyde?
The IUPAC name of 4-aminoazepane-1-carbaldehyde (CID 87381262) is 4-aminoazepane-1-carbaldehyde.
What is the SMILES notation for 4-aminoazepane-1-carbaldehyde?
The canonical SMILES for 4-aminoazepane-1-carbaldehyde is NC1CCCN(C=O)CC1.
What is the InChIKey of 4-aminoazepane-1-carbaldehyde?
The InChIKey is MSRZFXUDOLAYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-7-2-1-4-9(6-10)5-3-7/h6-7H,1-5,8H2.
What are the key properties of 4-aminoazepane-1-carbaldehyde?
4-aminoazepane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoazepane-1-carbaldehyde is sourced from PubChem (CID 87381262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).