2-(cyclohexylamino)butanal

C10H19NO — CID 143660435

IUPAC2-(cyclohexylamino)butanal
SMILESCCC(C=O)NC1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h8-11H,2-7H2,1H3
InChIKeyCKKAXVNHNGRBGL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.89
Rot. Bonds4

About 2-(cyclohexylamino)butanal

2-(cyclohexylamino)butanal (PubChem CID 143660435) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(cyclohexylamino)butanal.

Molecular Properties

Compound Name2-(cyclohexylamino)butanal
PubChem CID143660435
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(cyclohexylamino)butanal
SMILESCCC(C=O)NC1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h8-11H,2-7H2,1H3
InChIKeyCKKAXVNHNGRBGL-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

(2S)-2-(cyclohexylamino)propanal
CID 18666973
(2S)-2-cyclohexylbutanal
CID 88959248
3-(cyclohexylamino)butanal
CID 163514987
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
N-propan-2-ylcycloheptanamine
CID 42562651
2-(cyclopentylamino)butanoic acid
CID 60998249
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
1-(cyclopentylamino)propane-1-sulfonic acid
CID 157022860
N-[1-(oxolan-2-yl)propyl]cycloheptanamine
CID 115896557
N-[2-(cyclohexylamino)dodecylidene]hydroxylamine
CID 3507266
N-pentan-2-ylcyclooctanamine
CID 43079432

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)butanal?
The IUPAC name of 2-(cyclohexylamino)butanal (CID 143660435) is 2-(cyclohexylamino)butanal.
What is the SMILES notation for 2-(cyclohexylamino)butanal?
The canonical SMILES for 2-(cyclohexylamino)butanal is CCC(C=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)butanal?
The InChIKey is CKKAXVNHNGRBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h8-11H,2-7H2,1H3.
What are the key properties of 2-(cyclohexylamino)butanal?
2-(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 2-(cyclohexylamino)butanal is sourced from PubChem (CID 143660435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).