1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine

C12H23N3 — CID 99814333

IUPAC1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine
SMILESC/N=C(\NCCC1CC1)NC1CCCC1
InChIInChI=1S/C12H23N3/c1-13-12(14-9-8-10-6-7-10)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,13,14,15)
InChIKeyUPIRWUZCZYWODN-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.89
Rot. Bonds4

About 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine

1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine (PubChem CID 99814333) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine
PubChem CID99814333
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine
SMILESC/N=C(\NCCC1CC1)NC1CCCC1
InChIInChI=1S/C12H23N3/c1-13-12(14-9-8-10-6-7-10)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,13,14,15)
InChIKeyUPIRWUZCZYWODN-UHFFFAOYSA-N
XLogP1.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine (CID 99814333) is 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine is C/N=C(\NCCC1CC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine?
The InChIKey is UPIRWUZCZYWODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-12(14-9-8-10-6-7-10)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine?
1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine has a molecular weight of 209.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-cyclopropylethyl)-2-methylguanidine is sourced from PubChem (CID 99814333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).