2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine

C14H30N4 — CID 62361563

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H30N4/c1-5-9-16-13(15)17-11-14(18(3)4)8-6-7-12(2)10-14/h12H,5-11H2,1-4H3,(H3,15,16,17)
InChIKeyNNQXEVUDQCAILI-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds5

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine (PubChem CID 62361563) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine
PubChem CID62361563
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H30N4/c1-5-9-16-13(15)17-11-14(18(3)4)8-6-7-12(2)10-14/h12H,5-11H2,1-4H3,(H3,15,16,17)
InChIKeyNNQXEVUDQCAILI-UHFFFAOYSA-N
XLogP1.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
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-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine (CID 62361563) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine?
The InChIKey is NNQXEVUDQCAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-9-16-13(15)17-11-14(18(3)4)8-6-7-12(2)10-14/h12H,5-11H2,1-4H3,(H3,15,16,17).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-propylguanidine is sourced from PubChem (CID 62361563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).