2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine

C14H27N3 — CID 55063774

IUPAC2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine
SMILESCCCN(CC1CC1)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3/c1-2-10-17(11-12-8-9-12)14(15)16-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyQXECLCDYNDCKQM-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.76
Rot. Bonds5

About 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine

2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine (PubChem CID 55063774) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine
PubChem CID55063774
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine
SMILESCCCN(CC1CC1)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3/c1-2-10-17(11-12-8-9-12)14(15)16-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyQXECLCDYNDCKQM-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
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 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine?
The IUPAC name of 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine (CID 55063774) is 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine?
The canonical SMILES for 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine is CCCN(CC1CC1)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine?
The InChIKey is QXECLCDYNDCKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-10-17(11-12-8-9-12)14(15)16-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine?
2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(cyclopropylmethyl)-1-propylguanidine is sourced from PubChem (CID 55063774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).