4-(cyclohexylamino)butanal

C10H19NO — CID 140677611

IUPAC4-(cyclohexylamino)butanal
SMILESO=CCCCNC1CCCCC1
InChIInChI=1S/C10H19NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h9-11H,1-8H2
InChIKeyMZUPCQMCJVOZGR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.89
Rot. Bonds5

About 4-(cyclohexylamino)butanal

4-(cyclohexylamino)butanal (PubChem CID 140677611) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(cyclohexylamino)butanal.

Molecular Properties

Compound Name4-(cyclohexylamino)butanal
PubChem CID140677611
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(cyclohexylamino)butanal
SMILESO=CCCCNC1CCCCC1
InChIInChI=1S/C10H19NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h9-11H,1-8H2
InChIKeyMZUPCQMCJVOZGR-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
2-(cyclooctylamino)acetaldehyde
CID 54127694
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
6-(cyclohexylamino)hexyl formate
CID 87065748
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
2-(cyclopentylamino)acetaldehyde
CID 21195530
N'-cycloheptylbutane-1,4-diamine
CID 60894157
2-[3-(cyclohexylamino)propylamino]acetic acid
CID 172685431
4-(cycloheptylamino)butanoic acid
CID 43377987
4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
N-butylcyclohexanamine;molecular hydrogen
CID 143047743

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)butanal?
The IUPAC name of 4-(cyclohexylamino)butanal (CID 140677611) is 4-(cyclohexylamino)butanal.
What is the SMILES notation for 4-(cyclohexylamino)butanal?
The canonical SMILES for 4-(cyclohexylamino)butanal is O=CCCCNC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)butanal?
The InChIKey is MZUPCQMCJVOZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h9-11H,1-8H2.
What are the key properties of 4-(cyclohexylamino)butanal?
4-(cyclohexylamino)butanal has a molecular weight of 169.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)butanal is sourced from PubChem (CID 140677611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).