benzaldehyde;N-benzyl-1-cyclopropylmethanamine

C18H21NO — CID 158539783

IUPACbenzaldehyde;N-benzyl-1-cyclopropylmethanamine
SMILESO=Cc1ccccc1.c1ccc(CNCC2CC2)cc1
InChIInChI=1S/C11H15N.C7H6O/c1-2-4-10(5-3-1)8-12-9-11-6-7-11;8-6-7-4-2-1-3-5-7/h1-5,11-12H,6-9H2;1-6H
InChIKeyHOJMONGSKYLYAM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.69
Rot. Bonds5

About benzaldehyde;N-benzyl-1-cyclopropylmethanamine

benzaldehyde;N-benzyl-1-cyclopropylmethanamine (PubChem CID 158539783) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is benzaldehyde;N-benzyl-1-cyclopropylmethanamine.

Molecular Properties

Compound Namebenzaldehyde;N-benzyl-1-cyclopropylmethanamine
PubChem CID158539783
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Namebenzaldehyde;N-benzyl-1-cyclopropylmethanamine
SMILESO=Cc1ccccc1.c1ccc(CNCC2CC2)cc1
InChIInChI=1S/C11H15N.C7H6O/c1-2-4-10(5-3-1)8-12-9-11-6-7-11;8-6-7-4-2-1-3-5-7/h1-5,11-12H,6-9H2;1-6H
InChIKeyHOJMONGSKYLYAM-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.69
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-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
benzaldehyde;N-benzylethanamine
CID 22227487
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857
4-[(benzylamino)methyl]-1-methylcyclohexane-1-carboxylic acid
CID 90015837
[4-[(benzylamino)methyl]cyclohexyl] butanoate
CID 91414149
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
benzaldehyde;phenylmethanol
CID 87934574
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid;phenylmethanethiol
CID 143767157
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;N-benzyl-1-cyclopropylmethanamine?
The IUPAC name of benzaldehyde;N-benzyl-1-cyclopropylmethanamine (CID 158539783) is benzaldehyde;N-benzyl-1-cyclopropylmethanamine.
What is the SMILES notation for benzaldehyde;N-benzyl-1-cyclopropylmethanamine?
The canonical SMILES for benzaldehyde;N-benzyl-1-cyclopropylmethanamine is O=Cc1ccccc1.c1ccc(CNCC2CC2)cc1.
What is the InChIKey of benzaldehyde;N-benzyl-1-cyclopropylmethanamine?
The InChIKey is HOJMONGSKYLYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C7H6O/c1-2-4-10(5-3-1)8-12-9-11-6-7-11;8-6-7-4-2-1-3-5-7/h1-5,11-12H,6-9H2;1-6H.
What are the key properties of benzaldehyde;N-benzyl-1-cyclopropylmethanamine?
benzaldehyde;N-benzyl-1-cyclopropylmethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;N-benzyl-1-cyclopropylmethanamine is sourced from PubChem (CID 158539783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).