cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde

C18H30N2O2 — CID 23291684

IUPACcyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde
SMILESCN(C)CCCOc1ccc(C=O)cc1.NC1CCCCC1
InChIInChI=1S/C12H17NO2.C6H13N/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12;7-6-4-2-1-3-5-6/h4-7,10H,3,8-9H2,1-2H3;6H,1-5,7H2
InChIKeyFKOBNYKBKTUADD-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.11
Rot. Bonds6

About cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde

cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde (PubChem CID 23291684) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde.

Molecular Properties

Compound Namecyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde
PubChem CID23291684
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Namecyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde
SMILESCN(C)CCCOc1ccc(C=O)cc1.NC1CCCCC1
InChIInChI=1S/C12H17NO2.C6H13N/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12;7-6-4-2-1-3-5-6/h4-7,10H,3,8-9H2,1-2H3;6H,1-5,7H2
InChIKeyFKOBNYKBKTUADD-UHFFFAOYSA-N
XLogP3.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
4-[3-[cyclohexyl(methyl)amino]propoxy]benzoic acid
CID 22681784
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde?
The IUPAC name of cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde (CID 23291684) is cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde.
What is the SMILES notation for cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde?
The canonical SMILES for cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde is CN(C)CCCOc1ccc(C=O)cc1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde?
The InChIKey is FKOBNYKBKTUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C6H13N/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12;7-6-4-2-1-3-5-6/h4-7,10H,3,8-9H2,1-2H3;6H,1-5,7H2.
What are the key properties of cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde?
cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde has a molecular weight of 306.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde is sourced from PubChem (CID 23291684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).