trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine

C19H25N3 — CID 129446491

IUPACtrans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
SMILESCN(C)[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C19H25N3/c1-22(2)17-12-11-16(14-17)21-19(15-8-4-3-5-9-15)18-10-6-7-13-20-18/h3-10,13,16-17,19,21H,11-12,14H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyXYLYTZVLICOVEU-ZHALLVOQSA-N
MW295.43 g/mol
LogP3.24
Rot. Bonds5

About trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine

trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine (PubChem CID 129446491) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
PubChem CID129446491
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Nametrans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
SMILESCN(C)[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C19H25N3/c1-22(2)17-12-11-16(14-17)21-19(15-8-4-3-5-9-15)18-10-6-7-13-20-18/h3-10,13,16-17,19,21H,11-12,14H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyXYLYTZVLICOVEU-ZHALLVOQSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine with MolForge

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Related Compounds

methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
CID 47023158
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
CID 62088543
N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714310
(5S,9S)-N-[(S)-phenyl(pyridin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 129398140
[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787519
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
3,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401419
3,4-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81399472
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine (CID 129446491) is trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine is CN(C)[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1.
What is the InChIKey of trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine?
The InChIKey is XYLYTZVLICOVEU-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H25N3/c1-22(2)17-12-11-16(14-17)21-19(15-8-4-3-5-9-15)18-10-6-7-13-20-18/h3-10,13,16-17,19,21H,11-12,14H2,1-2H3/t16-,17-,19-/m1/s1.
What are the key properties of trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine?
trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine has a molecular weight of 295.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 129446491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).