3-(cyclohexylamino)butanal

C10H19NO — CID 163514987

IUPAC3-(cyclohexylamino)butanal
SMILESCC(CC=O)NC1CCCCC1
InChIInChI=1S/C10H19NO/c1-9(7-8-12)11-10-5-3-2-4-6-10/h8-11H,2-7H2,1H3
InChIKeyDFXPQHCTEMRSBC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.89
Rot. Bonds4

About 3-(cyclohexylamino)butanal

3-(cyclohexylamino)butanal (PubChem CID 163514987) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(cyclohexylamino)butanal.

Molecular Properties

Compound Name3-(cyclohexylamino)butanal
PubChem CID163514987
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(cyclohexylamino)butanal
SMILESCC(CC=O)NC1CCCCC1
InChIInChI=1S/C10H19NO/c1-9(7-8-12)11-10-5-3-2-4-6-10/h8-11H,2-7H2,1H3
InChIKeyDFXPQHCTEMRSBC-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
2-(cyclododecylamino)propan-1-ol
CID 43499740
(2S)-2-(cyclohexylamino)propanal
CID 18666973
N-pentan-2-ylcyclooctanamine
CID 43079432
N-propan-2-ylcycloheptanamine
CID 42562651
1-N-cyclohexyl-2-N-cyclopropylpropane-1,2-diamine
CID 62568486
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
2-(cyclohexylamino)butanal
CID 143660435
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-(4-chlorobutan-2-yl)cyclopentanamine
CID 83187738
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
N-heptan-2-ylcycloheptanamine
CID 43082272

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)butanal?
The IUPAC name of 3-(cyclohexylamino)butanal (CID 163514987) is 3-(cyclohexylamino)butanal.
What is the SMILES notation for 3-(cyclohexylamino)butanal?
The canonical SMILES for 3-(cyclohexylamino)butanal is CC(CC=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)butanal?
The InChIKey is DFXPQHCTEMRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(7-8-12)11-10-5-3-2-4-6-10/h8-11H,2-7H2,1H3.
What are the key properties of 3-(cyclohexylamino)butanal?
3-(cyclohexylamino)butanal has a molecular weight of 169.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)butanal is sourced from PubChem (CID 163514987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).