4-aminoazepane-3-carbaldehyde

C7H14N2O — CID 174422749

IUPAC4-aminoazepane-3-carbaldehyde
SMILESNC1CCCNCC1C=O
InChIInChI=1S/C7H14N2O/c8-7-2-1-3-9-4-6(7)5-10/h5-7,9H,1-4,8H2
InChIKeyRUVPOVLUJGJIPN-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.49
Rot. Bonds1

About 4-aminoazepane-3-carbaldehyde

4-aminoazepane-3-carbaldehyde (PubChem CID 174422749) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-aminoazepane-3-carbaldehyde.

Molecular Properties

Compound Name4-aminoazepane-3-carbaldehyde
PubChem CID174422749
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-aminoazepane-3-carbaldehyde
SMILESNC1CCCNCC1C=O
InChIInChI=1S/C7H14N2O/c8-7-2-1-3-9-4-6(7)5-10/h5-7,9H,1-4,8H2
InChIKeyRUVPOVLUJGJIPN-UHFFFAOYSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-aminopyrrolidine-3-carbaldehyde
CID 74829651
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
piperidin-3-amine;hydrate
CID 90355910
(3S)-piperidin-3-amine;hydrate
CID 90355913
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
(3S)-azepan-3-amine
CID 7145038
(3S)-4-methylazepan-3-amine
CID 155145613
ethane;piperidine-3-carbaldehyde;propane
CID 145347088
(3S)-azepan-3-amine;dihydrochloride
CID 52952863
N-amino-N-piperidin-3-ylformamide;dihydrochloride
CID 174773724
3-piperidin-3-ylprop-2-ynal
CID 117265475
methanamine;3-methylpiperidine
CID 178081150

Frequently Asked Questions

What is the IUPAC name of 4-aminoazepane-3-carbaldehyde?
The IUPAC name of 4-aminoazepane-3-carbaldehyde (CID 174422749) is 4-aminoazepane-3-carbaldehyde.
What is the SMILES notation for 4-aminoazepane-3-carbaldehyde?
The canonical SMILES for 4-aminoazepane-3-carbaldehyde is NC1CCCNCC1C=O.
What is the InChIKey of 4-aminoazepane-3-carbaldehyde?
The InChIKey is RUVPOVLUJGJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-7-2-1-3-9-4-6(7)5-10/h5-7,9H,1-4,8H2.
What are the key properties of 4-aminoazepane-3-carbaldehyde?
4-aminoazepane-3-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoazepane-3-carbaldehyde is sourced from PubChem (CID 174422749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).