formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine

C19H25N3O — CID 144756966

IUPACformamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2cccc(-c3cccnc3)c2)CCCCC1.NC=O
InChIInChI=1S/C18H22N2.CH3NO/c19-18(9-2-1-3-10-18)13-15-6-4-7-16(12-15)17-8-5-11-20-14-17;2-1-3/h4-8,11-12,14H,1-3,9-10,13,19H2;1H,(H2,2,3)
InChIKeyQMAPYAVJBWBDOD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.05
Rot. Bonds3

About formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine

formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 144756966) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nameformamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID144756966
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Nameformamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2cccc(-c3cccnc3)c2)CCCCC1.NC=O
InChIInChI=1S/C18H22N2.CH3NO/c19-18(9-2-1-3-10-18)13-15-6-4-7-16(12-15)17-8-5-11-20-14-17;2-1-3/h4-8,11-12,14H,1-3,9-10,13,19H2;1H,(H2,2,3)
InChIKeyQMAPYAVJBWBDOD-UHFFFAOYSA-N
XLogP3.05
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine (CID 144756966) is formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine is NC1(Cc2cccc(-c3cccnc3)c2)CCCCC1.NC=O.
What is the InChIKey of formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is QMAPYAVJBWBDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.CH3NO/c19-18(9-2-1-3-10-18)13-15-6-4-7-16(12-15)17-8-5-11-20-14-17;2-1-3/h4-8,11-12,14H,1-3,9-10,13,19H2;1H,(H2,2,3).
What are the key properties of formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine?
formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 144756966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).