N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine

C16H18N2 — CID 173142630

IUPACN-[(2-benzylcyclopropyl)methyl]pyridin-3-amine
SMILESc1ccc(CC2CC2CNc2cccnc2)cc1
InChIInChI=1S/C16H18N2/c1-2-5-13(6-3-1)9-14-10-15(14)11-18-16-7-4-8-17-12-16/h1-8,12,14-15,18H,9-11H2
InChIKeyQRGZAQXCLDWKHP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.37
Rot. Bonds5

About N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine

N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine (PubChem CID 173142630) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-benzylcyclopropyl)methyl]pyridin-3-amine
PubChem CID173142630
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-[(2-benzylcyclopropyl)methyl]pyridin-3-amine
SMILESc1ccc(CC2CC2CNc2cccnc2)cc1
InChIInChI=1S/C16H18N2/c1-2-5-13(6-3-1)9-14-10-15(14)11-18-16-7-4-8-17-12-16/h1-8,12,14-15,18H,9-11H2
InChIKeyQRGZAQXCLDWKHP-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
N-[(2-benzylcyclopropyl)methyl]ethanamine
CID 62703862
(2-benzylcyclopropyl)methanamine
CID 56605942
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141
N-[(2-benzylcyclopropyl)methyl]propan-1-amine
CID 62708370
N-[[(3S,4S)-1,4-dibenzylpyrrolidin-3-yl]methyl]aniline
CID 90744168
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
N-phenylmethoxypyridin-3-amine;dihydrochloride
CID 141050339
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine
CID 91068579

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine?
The IUPAC name of N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine (CID 173142630) is N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine is c1ccc(CC2CC2CNc2cccnc2)cc1.
What is the InChIKey of N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine?
The InChIKey is QRGZAQXCLDWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-5-13(6-3-1)9-14-10-15(14)11-18-16-7-4-8-17-12-16/h1-8,12,14-15,18H,9-11H2.
What are the key properties of N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine?
N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylcyclopropyl)methyl]pyridin-3-amine is sourced from PubChem (CID 173142630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).