3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine

C14H31N5 — CID 102999137

IUPAC3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H31N5/c1-4-19(12-8-11-18(2)3)14(17-15)16-13-9-6-5-7-10-13/h13H,4-12,15H2,1-3H3,(H,16,17)
InChIKeyIMUUXYIRHVWVAT-UHFFFAOYSA-N
MW269.44 g/mol
LogP1.41
Rot. Bonds6

About 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine

3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (PubChem CID 102999137) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
PubChem CID102999137
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H31N5/c1-4-19(12-8-11-18(2)3)14(17-15)16-13-9-6-5-7-10-13/h13H,4-12,15H2,1-3H3,(H,16,17)
InChIKeyIMUUXYIRHVWVAT-UHFFFAOYSA-N
XLogP1.41
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (CID 102999137) is 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is CCN(CCCN(C)C)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The InChIKey is IMUUXYIRHVWVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-4-19(12-8-11-18(2)3)14(17-15)16-13-9-6-5-7-10-13/h13H,4-12,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine has a molecular weight of 269.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102999137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).