4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine

C19H23N3 — CID 125142978

IUPAC4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine
SMILESNc1cc(CNC2[C@H]3CC[C@H]2Cc2ccccc2C3)ccn1
InChIInChI=1S/C19H23N3/c20-18-9-13(7-8-21-18)12-22-19-16-5-6-17(19)11-15-4-2-1-3-14(15)10-16/h1-4,7-9,16-17,19,22H,5-6,10-12H2,(H2,20,21)/t16-,17-/m0/s1
InChIKeyBORJVNZNPTUIGK-IRXDYDNUSA-N
MW293.41 g/mol
LogP2.95
Rot. Bonds3

About 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine

4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine (PubChem CID 125142978) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine
PubChem CID125142978
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine
SMILESNc1cc(CNC2[C@H]3CC[C@H]2Cc2ccccc2C3)ccn1
InChIInChI=1S/C19H23N3/c20-18-9-13(7-8-21-18)12-22-19-16-5-6-17(19)11-15-4-2-1-3-14(15)10-16/h1-4,7-9,16-17,19,22H,5-6,10-12H2,(H2,20,21)/t16-,17-/m0/s1
InChIKeyBORJVNZNPTUIGK-IRXDYDNUSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine with MolForge

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Related Compounds

4-[2-amino-2-(2,3-dihydro-1H-inden-2-yl)ethyl]pyridin-2-amine
CID 65411686
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 65407228
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105224735
(1S,10S)-N-[(1-tert-butyltetrazol-5-yl)methyl]tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 129345034
4-(cycloheptylmethyl)pyridin-2-amine
CID 82923791
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
2-[(2-amino-4-pyridinyl)methylamino]phenol
CID 105468629
4-[(2-methylanilino)methyl]pyridin-2-amine
CID 105466971
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794
4-[(4-ethylcyclohexyl)methyl]pyridin-2-amine
CID 64773866
2-methyl-5-[(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)methyl]-4H-1,2,4-triazol-3-one
CID 137194449
13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol
CID 20537450

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine (CID 125142978) is 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine is Nc1cc(CNC2[C@H]3CC[C@H]2Cc2ccccc2C3)ccn1.
What is the InChIKey of 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine?
The InChIKey is BORJVNZNPTUIGK-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3/c20-18-9-13(7-8-21-18)12-22-19-16-5-6-17(19)11-15-4-2-1-3-14(15)10-16/h1-4,7-9,16-17,19,22H,5-6,10-12H2,(H2,20,21)/t16-,17-/m0/s1.
What are the key properties of 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine?
4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 125142978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).