1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine

C18H32N4 — CID 119150662

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NCC1CC=CCC1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C18H32N4/c1-19-18(20-13-15-7-3-2-4-8-15)21-16-11-12-22(14-16)17-9-5-6-10-17/h2-3,15-17H,4-14H2,1H3,(H2,19,20,21)
InChIKeyTVFCCIHBGBGXEC-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.52
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine

1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine (PubChem CID 119150662) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
PubChem CID119150662
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NCC1CC=CCC1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C18H32N4/c1-19-18(20-13-15-7-3-2-4-8-15)21-16-11-12-22(14-16)17-9-5-6-10-17/h2-3,15-17H,4-14H2,1H3,(H2,19,20,21)
InChIKeyTVFCCIHBGBGXEC-UHFFFAOYSA-N
XLogP2.52
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158534
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111919364
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111919867
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111919434
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 111919697
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111919884
1-(1-cyclopentylpyrrolidin-3-yl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
CID 119150730
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111918596
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 119150604

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine (CID 119150662) is 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine is C/N=C(\NCC1CC=CCC1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine?
The InChIKey is TVFCCIHBGBGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-19-18(20-13-15-7-3-2-4-8-15)21-16-11-12-22(14-16)17-9-5-6-10-17/h2-3,15-17H,4-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine?
1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine has a molecular weight of 304.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine is sourced from PubChem (CID 119150662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).