1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine

C20H34N6 — CID 111919269

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C20H34N6/c1-4-21-20(23-14-16-9-11-22-19(13-16)25(2)3)24-17-10-12-26(15-17)18-7-5-6-8-18/h9,11,13,17-18H,4-8,10,12,14-15H2,1-3H3,(H2,21,23,24)
InChIKeyRWCTZVWHTAHRFR-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.22
Rot. Bonds6

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine (PubChem CID 111919269) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine
PubChem CID111919269
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C20H34N6/c1-4-21-20(23-14-16-9-11-22-19(13-16)25(2)3)24-17-10-12-26(15-17)18-7-5-6-8-18/h9,11,13,17-18H,4-8,10,12,14-15H2,1-3H3,(H2,21,23,24)
InChIKeyRWCTZVWHTAHRFR-UHFFFAOYSA-N
XLogP2.22
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111918717
2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111918453
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111918747
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111919723
1-(1-cyclopentylpyrrolidin-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-ethylguanidine
CID 111919963
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine
CID 111919787
2-[3-[[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111918392
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111919550
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111995174
2-[(4-cyanophenyl)methyl]-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111919943
1-(cyclopropylmethyl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine
CID 111868898
3-[[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111919954

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine (CID 111919269) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine is CCN/C(=N\Cc1ccnc(N(C)C)c1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine?
The InChIKey is RWCTZVWHTAHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6/c1-4-21-20(23-14-16-9-11-22-19(13-16)25(2)3)24-17-10-12-26(15-17)18-7-5-6-8-18/h9,11,13,17-18H,4-8,10,12,14-15H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine has a molecular weight of 358.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine is sourced from PubChem (CID 111919269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).