4-amino-2-cyclohexylbutanal

C10H19NO — CID 134207931

IUPAC4-amino-2-cyclohexylbutanal
SMILESNCCC(C=O)C1CCCCC1
InChIInChI=1S/C10H19NO/c11-7-6-10(8-12)9-4-2-1-3-5-9/h8-10H,1-7,11H2
InChIKeyGHEQLFCJRDFTHJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-2-cyclohexylbutanal

4-amino-2-cyclohexylbutanal (PubChem CID 134207931) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-amino-2-cyclohexylbutanal.

Molecular Properties

Compound Name4-amino-2-cyclohexylbutanal
PubChem CID134207931
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-amino-2-cyclohexylbutanal
SMILESNCCC(C=O)C1CCCCC1
InChIInChI=1S/C10H19NO/c11-7-6-10(8-12)9-4-2-1-3-5-9/h8-10H,1-7,11H2
InChIKeyGHEQLFCJRDFTHJ-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 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 ≤ 51.73
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-cyclohexylbutanal
CID 88959248
3-chloro-2-cyclohexylpropanal
CID 88702401
3-bromo-2-cyclohexylpropanal
CID 174462116
4-cyclohexyl-3-(cyclohexylmethyl)butan-1-amine
CID 173336695
N'-amino-3-cyclopentyl-4-oxobutanimidamide
CID 144957693
2-cyclohexyl-4-oxohexanal
CID 54168363
3-amino-2-cyclopentylpropanal;butane;1,1-diethoxyethane
CID 87889060
5-amino-2-piperidin-2-ylpentanal
CID 171815002
(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
CID 95757314
2-cyclopropylbutanedial
CID 141171977
2-cyclohexylhex-5-en-1-amine
CID 66694648
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexylbutanal?
The IUPAC name of 4-amino-2-cyclohexylbutanal (CID 134207931) is 4-amino-2-cyclohexylbutanal.
What is the SMILES notation for 4-amino-2-cyclohexylbutanal?
The canonical SMILES for 4-amino-2-cyclohexylbutanal is NCCC(C=O)C1CCCCC1.
What is the InChIKey of 4-amino-2-cyclohexylbutanal?
The InChIKey is GHEQLFCJRDFTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-6-10(8-12)9-4-2-1-3-5-9/h8-10H,1-7,11H2.
What are the key properties of 4-amino-2-cyclohexylbutanal?
4-amino-2-cyclohexylbutanal has a molecular weight of 169.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexylbutanal is sourced from PubChem (CID 134207931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).