1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine

C19H28N4 — CID 70594748

IUPAC1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine
SMILESCc1cccc(/N=C(\N=C2CCCN2C)N(C)C2CCCC2)c1
InChIInChI=1S/C19H28N4/c1-15-8-6-9-16(14-15)20-19(21-18-12-7-13-22(18)2)23(3)17-10-4-5-11-17/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3/b20-19+,21-18?
InChIKeyXUQBRBLOTQJUCS-NFMTULRYSA-N
MW312.46 g/mol
LogP3.98
Rot. Bonds2

About 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine

1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine (PubChem CID 70594748) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine
PubChem CID70594748
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine
SMILESCc1cccc(/N=C(\N=C2CCCN2C)N(C)C2CCCC2)c1
InChIInChI=1S/C19H28N4/c1-15-8-6-9-16(14-15)20-19(21-18-12-7-13-22(18)2)23(3)17-10-4-5-11-17/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3/b20-19+,21-18?
InChIKeyXUQBRBLOTQJUCS-NFMTULRYSA-N
XLogP3.98
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N'-(3-methylphenyl)-N-(1-methylpiperidin-2-ylidene)morpholine-4-carboximidamide
CID 56989201
[2-(3-methylanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate
CID 9456986
N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
CID 167711519
1-cycloheptyl-1-methyl-2-phenylguanidine
CID 62364038
N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
CID 108507347
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
(1Z)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]urea
CID 164511448
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
N-cyclohexyl-N'-ethyl-N-methyl-N'-(3-methylphenyl)oxamide
CID 108503849
N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide
CID 66714003
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930
N-(3-methylphenyl)butan-2-imine
CID 54385818

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine?
The IUPAC name of 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine (CID 70594748) is 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine.
What is the SMILES notation for 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine?
The canonical SMILES for 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine is Cc1cccc(/N=C(\N=C2CCCN2C)N(C)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine?
The InChIKey is XUQBRBLOTQJUCS-NFMTULRYSA-N. The full InChI is InChI=1S/C19H28N4/c1-15-8-6-9-16(14-15)20-19(21-18-12-7-13-22(18)2)23(3)17-10-4-5-11-17/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3/b20-19+,21-18?.
What are the key properties of 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine?
1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine has a molecular weight of 312.46 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-methyl-2-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)guanidine is sourced from PubChem (CID 70594748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).