(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide

C16H23N3O — CID 74243413

IUPAC(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
SMILESNCc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C3)C2)c1
InChIInChI=1S/C16H23N3O/c17-9-12-3-2-6-15(8-12)18-16(20)19-10-13-4-1-5-14(7-13)11-19/h2-3,6,8,13-14H,1,4-5,7,9-11,17H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyOFKZCQKVVYFAEA-ZIAGYGMSSA-N
MW273.38 g/mol
LogP2.80
Rot. Bonds2

About (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide

(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 74243413) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID74243413
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
SMILESNCc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C3)C2)c1
InChIInChI=1S/C16H23N3O/c17-9-12-3-2-6-15(8-12)18-16(20)19-10-13-4-1-5-14(7-13)11-19/h2-3,6,8,13-14H,1,4-5,7,9-11,17H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyOFKZCQKVVYFAEA-ZIAGYGMSSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447
N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545512
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide (CID 74243413) is (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide is NCc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C3)C2)c1.
What is the InChIKey of (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is OFKZCQKVVYFAEA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23N3O/c17-9-12-3-2-6-15(8-12)18-16(20)19-10-13-4-1-5-14(7-13)11-19/h2-3,6,8,13-14H,1,4-5,7,9-11,17H2,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide?
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 74243413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).