1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine

C12H24N4 — CID 106013169

IUPAC1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
SMILESNN/C(=N\CCCC1CCCC1)NC1CC1
InChIInChI=1S/C12H24N4/c13-16-12(15-11-7-8-11)14-9-3-6-10-4-1-2-5-10/h10-11H,1-9,13H2,(H2,14,15,16)
InChIKeyLYMAJVPKZQJKRT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.53
Rot. Bonds5

About 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine

1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine (PubChem CID 106013169) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine.

Molecular Properties

Compound Name1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
PubChem CID106013169
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
SMILESNN/C(=N\CCCC1CCCC1)NC1CC1
InChIInChI=1S/C12H24N4/c13-16-12(15-11-7-8-11)14-9-3-6-10-4-1-2-5-10/h10-11H,1-9,13H2,(H2,14,15,16)
InChIKeyLYMAJVPKZQJKRT-UHFFFAOYSA-N
XLogP1.53
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
CID 106013168
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
CID 104888342

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine?
The IUPAC name of 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine (CID 106013169) is 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine.
What is the SMILES notation for 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine?
The canonical SMILES for 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine is NN/C(=N\CCCC1CCCC1)NC1CC1.
What is the InChIKey of 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine?
The InChIKey is LYMAJVPKZQJKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c13-16-12(15-11-7-8-11)14-9-3-6-10-4-1-2-5-10/h10-11H,1-9,13H2,(H2,14,15,16).
What are the key properties of 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine?
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine has a molecular weight of 224.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine is sourced from PubChem (CID 106013169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).