1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine

C12H24N4 — CID 104883783

IUPAC1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
SMILESNN/C(=N\CC1CCCC1)NC1CCCC1
InChIInChI=1S/C12H24N4/c13-16-12(15-11-7-3-4-8-11)14-9-10-5-1-2-6-10/h10-11H,1-9,13H2,(H2,14,15,16)
InChIKeyZYMLGAGUMJQYBL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.53
Rot. Bonds3

About 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine

1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine (PubChem CID 104883783) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
PubChem CID104883783
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
SMILESNN/C(=N\CC1CCCC1)NC1CCCC1
InChIInChI=1S/C12H24N4/c13-16-12(15-11-7-3-4-8-11)14-9-10-5-1-2-6-10/h10-11H,1-9,13H2,(H2,14,15,16)
InChIKeyZYMLGAGUMJQYBL-UHFFFAOYSA-N
XLogP1.53
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-3-cyclohexyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887499
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]acetamide
CID 104882876
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 104884342
1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
CID 104884451
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 104883116

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine (CID 104883783) is 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine is NN/C(=N\CC1CCCC1)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine?
The InChIKey is ZYMLGAGUMJQYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c13-16-12(15-11-7-3-4-8-11)14-9-10-5-1-2-6-10/h10-11H,1-9,13H2,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine?
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine is sourced from PubChem (CID 104883783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).