1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine

C17H34N6 — CID 119150073

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
SMILESC/N=C(\NCCN1CCCN(C)CC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C17H34N6/c1-18-17(20-15-6-10-23(14-15)16-4-5-16)19-7-11-22-9-3-8-21(2)12-13-22/h15-16H,3-14H2,1-2H3,(H2,18,19,20)
InChIKeyCPIQUOXAFPPVRG-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.03
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine

1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine (PubChem CID 119150073) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
PubChem CID119150073
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
SMILESC/N=C(\NCCN1CCCN(C)CC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C17H34N6/c1-18-17(20-15-6-10-23(14-15)16-4-5-16)19-7-11-22-9-3-8-21(2)12-13-22/h15-16H,3-14H2,1-2H3,(H2,18,19,20)
InChIKeyCPIQUOXAFPPVRG-UHFFFAOYSA-N
XLogP0.03
TPSA46.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.03
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)-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111919699
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 119150649
2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316600
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
1-cyclohexyl-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine
CID 110957964
2-methyl-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111018287
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 119158419
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111919085
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
CID 119154337

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine (CID 119150073) is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine is C/N=C(\NCCN1CCCN(C)CC1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine?
The InChIKey is CPIQUOXAFPPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6/c1-18-17(20-15-6-10-23(14-15)16-4-5-16)19-7-11-22-9-3-8-21(2)12-13-22/h15-16H,3-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine?
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine has a molecular weight of 322.50 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine is sourced from PubChem (CID 119150073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).