1-cyclohexyl-1-propylguanidine

C10H21N3 — CID 138105608

IUPAC1-cyclohexyl-1-propylguanidine
SMILES[H]/N=C(\N)N(CCC)C1CCCCC1
InChIInChI=1S/C10H21N3/c1-2-8-13(10(11)12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyCTRMWKZUNAMPEI-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.92
Rot. Bonds3

About 1-cyclohexyl-1-propylguanidine

1-cyclohexyl-1-propylguanidine (PubChem CID 138105608) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-cyclohexyl-1-propylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-1-propylguanidine
PubChem CID138105608
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-cyclohexyl-1-propylguanidine
SMILES[H]/N=C(\N)N(CCC)C1CCCCC1
InChIInChI=1S/C10H21N3/c1-2-8-13(10(11)12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyCTRMWKZUNAMPEI-UHFFFAOYSA-N
XLogP1.92
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-propylguanidine?
The IUPAC name of 1-cyclohexyl-1-propylguanidine (CID 138105608) is 1-cyclohexyl-1-propylguanidine.
What is the SMILES notation for 1-cyclohexyl-1-propylguanidine?
The canonical SMILES for 1-cyclohexyl-1-propylguanidine is [H]/N=C(\N)N(CCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-propylguanidine?
The InChIKey is CTRMWKZUNAMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-8-13(10(11)12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 1-cyclohexyl-1-propylguanidine?
1-cyclohexyl-1-propylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-propylguanidine is sourced from PubChem (CID 138105608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).