(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C14H21N3 — CID 167843392

IUPAC(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCN1C[C@@H]2CCC(NCc3cccnc3)[C@@H]2C1
InChIInChI=1S/C14H21N3/c1-17-9-12-4-5-14(13(12)10-17)16-8-11-3-2-6-15-7-11/h2-3,6-7,12-14,16H,4-5,8-10H2,1H3/t12-,13+,14?/m0/s1
InChIKeyUBEXWJHICKHHPT-WLDKUNSKSA-N
MW231.34 g/mol
LogP1.51
Rot. Bonds3

About (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 167843392) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID167843392
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCN1C[C@@H]2CCC(NCc3cccnc3)[C@@H]2C1
InChIInChI=1S/C14H21N3/c1-17-9-12-4-5-14(13(12)10-17)16-8-11-3-2-6-15-7-11/h2-3,6-7,12-14,16H,4-5,8-10H2,1H3/t12-,13+,14?/m0/s1
InChIKeyUBEXWJHICKHHPT-WLDKUNSKSA-N
XLogP1.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Related Compounds

(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
CID 129269369
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 167843392) is (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is CN1C[C@@H]2CCC(NCc3cccnc3)[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is UBEXWJHICKHHPT-WLDKUNSKSA-N. The full InChI is InChI=1S/C14H21N3/c1-17-9-12-4-5-14(13(12)10-17)16-8-11-3-2-6-15-7-11/h2-3,6-7,12-14,16H,4-5,8-10H2,1H3/t12-,13+,14?/m0/s1.
What are the key properties of (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 231.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-N-(pyridin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 167843392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).