1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine

C14H21N3 — CID 113336197

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CC3CCCC3C2)c1
InChIInChI=1S/C14H21N3/c1-15-8-11-5-6-16-14(7-11)17-9-12-3-2-4-13(12)10-17/h5-7,12-13,15H,2-4,8-10H2,1H3
InChIKeyXNUOXSHGFDIHPW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 113336197) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID113336197
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CC3CCCC3C2)c1
InChIInChI=1S/C14H21N3/c1-15-8-11-5-6-16-14(7-11)17-9-12-3-2-4-13(12)10-17/h5-7,12-13,15H,2-4,8-10H2,1H3
InChIKeyXNUOXSHGFDIHPW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 62286079
1-[2-(3-ethyl-4-methylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55217767
N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
CID 62293701
1-[2-(2-ethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55054433
N'-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442861
1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 83221471
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475
1-[2-(2,5-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 62279244
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine (CID 113336197) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CC3CCCC3C2)c1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is XNUOXSHGFDIHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-15-8-11-5-6-16-14(7-11)17-9-12-3-2-4-13(12)10-17/h5-7,12-13,15H,2-4,8-10H2,1H3.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 113336197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).