1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine

C16H30N4 — CID 119163079

IUPAC1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine
SMILESCCN/C(=N\CC1(C)CC1)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C16H30N4/c1-4-17-15(18-11-16(3)7-8-16)19-13-9-12(2)20(10-13)14-5-6-14/h12-14H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeyKZMAWOGXFYVJCR-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.97
Rot. Bonds5

About 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine

1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine (PubChem CID 119163079) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine
PubChem CID119163079
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine
SMILESCCN/C(=N\CC1(C)CC1)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C16H30N4/c1-4-17-15(18-11-16(3)7-8-16)19-13-9-12(2)20(10-13)14-5-6-14/h12-14H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeyKZMAWOGXFYVJCR-UHFFFAOYSA-N
XLogP1.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.97
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'}

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine
CID 119162284
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111761102
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-ethylguanidine
CID 119163109
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119162321
ethyl 4-[[N-ethyl-N'-[(1-methylcyclopentyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111765903
1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111827119
1-(4,4-dimethylcyclohexyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995365
1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111833833
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)guanidine
CID 111255763
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044639
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine
CID 119162854
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide;dihydrochloride
CID 119900317

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine (CID 119163079) is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine is CCN/C(=N\CC1(C)CC1)NC1CC(C)N(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine?
The InChIKey is KZMAWOGXFYVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-17-15(18-11-16(3)7-8-16)19-13-9-12(2)20(10-13)14-5-6-14/h12-14H,4-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine?
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine has a molecular weight of 278.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 119163079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).