2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine

C18H35N5 — CID 111416081

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)NCCN1CCCCC1
InChIInChI=1S/C18H35N5/c1-2-19-18(20-9-13-22-10-4-3-5-11-22)21-14-16-8-12-23(15-16)17-6-7-17/h16-17H,2-15H2,1H3,(H2,19,20,21)
InChIKeyTXHNTRBICVAJBV-UHFFFAOYSA-N
MW321.51 g/mol
LogP1.51
Rot. Bonds7

About 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine

2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine (PubChem CID 111416081) has the molecular formula C18H35N5 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
PubChem CID111416081
Molecular FormulaC18H35N5
Molecular Weight321.51 g/mol
Exact Mass321.29
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)NCCN1CCCCC1
InChIInChI=1S/C18H35N5/c1-2-19-18(20-9-13-22-10-4-3-5-11-22)21-14-16-8-12-23(15-16)17-6-7-17/h16-17H,2-15H2,1H3,(H2,19,20,21)
InChIKeyTXHNTRBICVAJBV-UHFFFAOYSA-N
XLogP1.51
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416078
1-ethyl-3-(2-piperidin-1-ylethyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111415532
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111894435
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125993
1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110958506
1-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415245
2-(cyclopropylmethyl)-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111869894
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188328
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350076
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005962
1-[2-(4-chlorophenyl)sulfanylethyl]-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine
CID 111372049
1-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415707

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine (CID 111416081) is 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine is CCN/C(=N\CC1CCN(C2CC2)C1)NCCN1CCCCC1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is TXHNTRBICVAJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5/c1-2-19-18(20-9-13-22-10-4-3-5-11-22)21-14-16-8-12-23(15-16)17-6-7-17/h16-17H,2-15H2,1H3,(H2,19,20,21).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 321.51 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111416081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).