1-(3-cyclopropylpropyl)-2-propylguanidine

C10H21N3 — CID 115679595

IUPAC1-(3-cyclopropylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCC1CC1
InChIInChI=1S/C10H21N3/c1-2-7-12-10(11)13-8-3-4-9-5-6-9/h9H,2-8H2,1H3,(H3,11,12,13)
InChIKeyDFUJCYGNZGKGTG-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds6

About 1-(3-cyclopropylpropyl)-2-propylguanidine

1-(3-cyclopropylpropyl)-2-propylguanidine (PubChem CID 115679595) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(3-cyclopropylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-cyclopropylpropyl)-2-propylguanidine
PubChem CID115679595
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(3-cyclopropylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCC1CC1
InChIInChI=1S/C10H21N3/c1-2-7-12-10(11)13-8-3-4-9-5-6-9/h9H,2-8H2,1H3,(H3,11,12,13)
InChIKeyDFUJCYGNZGKGTG-UHFFFAOYSA-N
XLogP1.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.49
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

1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
CID 55063814
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
CID 163528176
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
CID 111057510
2-(cyclopropylmethyl)-1-heptylguanidine;methanesulfonic acid
CID 24879509
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060442
1-(3-cyclopropylpropyl)-3-propylthiourea
CID 115635620

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropyl)-2-propylguanidine?
The IUPAC name of 1-(3-cyclopropylpropyl)-2-propylguanidine (CID 115679595) is 1-(3-cyclopropylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-(3-cyclopropylpropyl)-2-propylguanidine?
The canonical SMILES for 1-(3-cyclopropylpropyl)-2-propylguanidine is CCC/N=C(\N)NCCCC1CC1.
What is the InChIKey of 1-(3-cyclopropylpropyl)-2-propylguanidine?
The InChIKey is DFUJCYGNZGKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-7-12-10(11)13-8-3-4-9-5-6-9/h9H,2-8H2,1H3,(H3,11,12,13).
What are the key properties of 1-(3-cyclopropylpropyl)-2-propylguanidine?
1-(3-cyclopropylpropyl)-2-propylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropyl)-2-propylguanidine is sourced from PubChem (CID 115679595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).