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

C14H21N3 — CID 115561757

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine
SMILESCNc1ccnc(CN2CC3CCCC3C2)c1
InChIInChI=1S/C14H21N3/c1-15-13-5-6-16-14(7-13)10-17-8-11-3-2-4-12(11)9-17/h5-7,11-12H,2-4,8-10H2,1H3,(H,15,16)
InChIKeyJSMBVQOARCCQKO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.36
Rot. Bonds3

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine (PubChem CID 115561757) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine
PubChem CID115561757
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine
SMILESCNc1ccnc(CN2CC3CCCC3C2)c1
InChIInChI=1S/C14H21N3/c1-15-13-5-6-16-14(7-13)10-17-8-11-3-2-4-12(11)9-17/h5-7,11-12H,2-4,8-10H2,1H3,(H,15,16)
InChIKeyJSMBVQOARCCQKO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200130
2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
CID 79245088
N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79251355
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200136
2-[1-[[4-(methylamino)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 79245038
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
N-methyl-2-[(2-methylimidazol-1-yl)methyl]pyridin-4-amine
CID 79251372
1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 113421240
1-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]imidazolidin-2-one
CID 79251638

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine (CID 115561757) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine is CNc1ccnc(CN2CC3CCCC3C2)c1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine?
The InChIKey is JSMBVQOARCCQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-15-13-5-6-16-14(7-13)10-17-8-11-3-2-4-12(11)9-17/h5-7,11-12H,2-4,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 115561757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).