benzaldehyde;N-hexylhexan-1-amine

C19H33NO — CID 87442359

IUPACbenzaldehyde;N-hexylhexan-1-amine
SMILESCCCCCCNCCCCCC.O=Cc1ccccc1
InChIInChI=1S/C12H27N.C7H6O/c1-3-5-7-9-11-13-12-10-8-6-4-2;8-6-7-4-2-1-3-5-7/h13H,3-12H2,1-2H3;1-6H
InChIKeyFDFLUDKJZVQAGD-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.24
Rot. Bonds11

About benzaldehyde;N-hexylhexan-1-amine

benzaldehyde;N-hexylhexan-1-amine (PubChem CID 87442359) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is benzaldehyde;N-hexylhexan-1-amine.

Molecular Properties

Compound Namebenzaldehyde;N-hexylhexan-1-amine
PubChem CID87442359
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Namebenzaldehyde;N-hexylhexan-1-amine
SMILESCCCCCCNCCCCCC.O=Cc1ccccc1
InChIInChI=1S/C12H27N.C7H6O/c1-3-5-7-9-11-13-12-10-8-6-4-2;8-6-7-4-2-1-3-5-7/h13H,3-12H2,1-2H3;1-6H
InChIKeyFDFLUDKJZVQAGD-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-pentylpentan-1-amine;styrene
CID 69462371
4-(nonadecylamino)benzaldehyde
CID 20556317
benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 87586745
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-(2-phenylethyl)undecan-1-amine
CID 141108004
benzaldehyde;ethane;propane
CID 91184446
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
cumene;N-octadecyloctadecan-1-amine
CID 67656725
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;N-hexylhexan-1-amine?
The IUPAC name of benzaldehyde;N-hexylhexan-1-amine (CID 87442359) is benzaldehyde;N-hexylhexan-1-amine.
What is the SMILES notation for benzaldehyde;N-hexylhexan-1-amine?
The canonical SMILES for benzaldehyde;N-hexylhexan-1-amine is CCCCCCNCCCCCC.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;N-hexylhexan-1-amine?
The InChIKey is FDFLUDKJZVQAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C7H6O/c1-3-5-7-9-11-13-12-10-8-6-4-2;8-6-7-4-2-1-3-5-7/h13H,3-12H2,1-2H3;1-6H.
What are the key properties of benzaldehyde;N-hexylhexan-1-amine?
benzaldehyde;N-hexylhexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;N-hexylhexan-1-amine is sourced from PubChem (CID 87442359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).