1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine

C14H29N5 — CID 104884140

IUPAC1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN1CCC(C/N=C(\NN)NC2CCCCC2)C1
InChIInChI=1S/C14H29N5/c1-2-19-9-8-12(11-19)10-16-14(18-15)17-13-6-4-3-5-7-13/h12-13H,2-11,15H2,1H3,(H2,16,17,18)
InChIKeyIMZMMRQURZJREP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.07
Rot. Bonds4

About 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine

1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 104884140) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
PubChem CID104884140
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN1CCC(C/N=C(\NN)NC2CCCCC2)C1
InChIInChI=1S/C14H29N5/c1-2-19-9-8-12(11-19)10-16-14(18-15)17-13-6-4-3-5-7-13/h12-13H,2-11,15H2,1H3,(H2,16,17,18)
InChIKeyIMZMMRQURZJREP-UHFFFAOYSA-N
XLogP1.07
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine (CID 104884140) is 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine is CCN1CCC(C/N=C(\NN)NC2CCCCC2)C1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is IMZMMRQURZJREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-2-19-9-8-12(11-19)10-16-14(18-15)17-13-6-4-3-5-7-13/h12-13H,2-11,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine?
1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 267.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 104884140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).