2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine

C14H30N4 — CID 62362087

IUPAC2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine
SMILESCCCN(CCN(C)C)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H30N4/c1-4-10-18(12-11-17(2)3)14(15)16-13-8-6-5-7-9-13/h13H,4-12H2,1-3H3,(H2,15,16)
InChIKeyOJZUNCBCNRFBAM-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.91
Rot. Bonds6

About 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine

2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine (PubChem CID 62362087) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine
PubChem CID62362087
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine
SMILESCCCN(CCN(C)C)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H30N4/c1-4-10-18(12-11-17(2)3)14(15)16-13-8-6-5-7-9-13/h13H,4-12H2,1-3H3,(H2,15,16)
InChIKeyOJZUNCBCNRFBAM-UHFFFAOYSA-N
XLogP1.91
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(dimethylamino)ethyl]-1-propylguanidine?
The IUPAC name of 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine (CID 62362087) is 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
The canonical SMILES for 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine is CCCN(CCN(C)C)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
The InChIKey is OJZUNCBCNRFBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-10-18(12-11-17(2)3)14(15)16-13-8-6-5-7-9-13/h13H,4-12H2,1-3H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine is sourced from PubChem (CID 62362087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).