(2S)-2-(cyclohexylamino)propanal

C9H17NO — CID 18666973

IUPAC(2S)-2-(cyclohexylamino)propanal
SMILESC[C@@H](C=O)NC1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h7-10H,2-6H2,1H3/t8-/m0/s1
InChIKeyPTQLETOZAXDLEP-QMMMGPOBSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-(cyclohexylamino)propanal

(2S)-2-(cyclohexylamino)propanal (PubChem CID 18666973) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)propanal.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)propanal
PubChem CID18666973
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S)-2-(cyclohexylamino)propanal
SMILESC[C@@H](C=O)NC1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h7-10H,2-6H2,1H3/t8-/m0/s1
InChIKeyPTQLETOZAXDLEP-QMMMGPOBSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(cyclohexylamino)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-ylcycloheptanamine
CID 42562651
N-but-3-en-2-ylcyclopentanamine
CID 115727919
2-(cyclohexylamino)butanal
CID 143660435
3-(cyclohexylamino)butanal
CID 163514987
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
CID 46200258
ethyl 4-(cyclohexylamino)pent-2-enoate
CID 75145895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)propanal?
The IUPAC name of (2S)-2-(cyclohexylamino)propanal (CID 18666973) is (2S)-2-(cyclohexylamino)propanal.
What is the SMILES notation for (2S)-2-(cyclohexylamino)propanal?
The canonical SMILES for (2S)-2-(cyclohexylamino)propanal is C[C@@H](C=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(cyclohexylamino)propanal?
The InChIKey is PTQLETOZAXDLEP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h7-10H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)propanal?
(2S)-2-(cyclohexylamino)propanal has a molecular weight of 155.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)propanal is sourced from PubChem (CID 18666973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).