1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine

C14H30N4 — CID 55063814

IUPAC1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN(C)C1CCCCC1
InChIInChI=1S/C14H30N4/c1-3-10-16-14(15)17-11-7-12-18(2)13-8-5-4-6-9-13/h13H,3-12H2,1-2H3,(H3,15,16,17)
InChIKeyRGHOIRQTLGYCQS-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.96
Rot. Bonds7

About 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine

1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine (PubChem CID 55063814) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
PubChem CID55063814
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN(C)C1CCCCC1
InChIInChI=1S/C14H30N4/c1-3-10-16-14(15)17-11-7-12-18(2)13-8-5-4-6-9-13/h13H,3-12H2,1-2H3,(H3,15,16,17)
InChIKeyRGHOIRQTLGYCQS-UHFFFAOYSA-N
XLogP1.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-butyl-2-[3-[cyclohexyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111057333
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111057263
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227628
2-[3-[cyclohexyl(methyl)amino]propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111057350
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110936978
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide
CID 111160377
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine?
The IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine (CID 55063814) is 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine?
The canonical SMILES for 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine is CCC/N=C(\N)NCCCN(C)C1CCCCC1.
What is the InChIKey of 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine?
The InChIKey is RGHOIRQTLGYCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-3-10-16-14(15)17-11-7-12-18(2)13-8-5-4-6-9-13/h13H,3-12H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine?
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine is sourced from PubChem (CID 55063814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).