2-(cyclopentylamino)acetaldehyde

C7H13NO — CID 21195530

IUPAC2-(cyclopentylamino)acetaldehyde
SMILESO=CCNC1CCCC1
InChIInChI=1S/C7H13NO/c9-6-5-8-7-3-1-2-4-7/h6-8H,1-5H2
InChIKeyJPRLLBAFYURLQF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds3

About 2-(cyclopentylamino)acetaldehyde

2-(cyclopentylamino)acetaldehyde (PubChem CID 21195530) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(cyclopentylamino)acetaldehyde.

Molecular Properties

Compound Name2-(cyclopentylamino)acetaldehyde
PubChem CID21195530
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(cyclopentylamino)acetaldehyde
SMILESO=CCNC1CCCC1
InChIInChI=1S/C7H13NO/c9-6-5-8-7-3-1-2-4-7/h6-8H,1-5H2
InChIKeyJPRLLBAFYURLQF-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclooctylamino)acetaldehyde
CID 54127694
4-(cyclohexylamino)butanal
CID 140677611
azane;N-prop-2-enylcyclohexanamine
CID 22328045
1-cyclopentyl-3-(2-oxoethyl)urea
CID 117235815
N'-cyclohexylprop-1-ene-1,3-diamine
CID 66721307
(E)-4-(cycloheptylamino)but-2-enoic acid
CID 103237236
methanamine;N-prop-2-enylcyclohexanamine
CID 22649764
N-[(E)-3-chloroprop-2-enyl]cyclobutanamine
CID 107899885
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine
CID 10442091
(E)-4-(cyclobutylamino)but-2-en-1-ol
CID 115011424
N-(iodomethyl)cyclopentanamine
CID 126663668

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)acetaldehyde?
The IUPAC name of 2-(cyclopentylamino)acetaldehyde (CID 21195530) is 2-(cyclopentylamino)acetaldehyde.
What is the SMILES notation for 2-(cyclopentylamino)acetaldehyde?
The canonical SMILES for 2-(cyclopentylamino)acetaldehyde is O=CCNC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)acetaldehyde?
The InChIKey is JPRLLBAFYURLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-5-8-7-3-1-2-4-7/h6-8H,1-5H2.
What are the key properties of 2-(cyclopentylamino)acetaldehyde?
2-(cyclopentylamino)acetaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)acetaldehyde is sourced from PubChem (CID 21195530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).