2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine

C14H29N3 — CID 111062741

IUPAC2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCC1CCCC1
InChIInChI=1S/C14H29N3/c1-12(2)9-11-17-14(15)16-10-5-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyCZXDRRSHYAXJIP-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.91
Rot. Bonds7

About 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine

2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine (PubChem CID 111062741) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
PubChem CID111062741
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCC1CCCC1
InChIInChI=1S/C14H29N3/c1-12(2)9-11-17-14(15)16-10-5-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyCZXDRRSHYAXJIP-UHFFFAOYSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
1-(3-methylbutyl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018751
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111057067
1-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine (CID 111062741) is 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CCCC1CCCC1.
What is the InChIKey of 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine?
The InChIKey is CZXDRRSHYAXJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)9-11-17-14(15)16-10-5-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine?
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine has a molecular weight of 239.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111062741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).