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

C12H28N4 — CID 62363683

IUPAC1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCN(C)C)CC(C)C
InChIInChI=1S/C12H28N4/c1-6-7-14-12(13)16(10-11(2)3)9-8-15(4)5/h11H,6-10H2,1-5H3,(H2,13,14)
InChIKeyCPSBIVXTRZVODS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.23
Rot. Bonds7

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

1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine (PubChem CID 62363683) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
PubChem CID62363683
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCN(C)C)CC(C)C
InChIInChI=1S/C12H28N4/c1-6-7-14-12(13)16(10-11(2)3)9-8-15(4)5/h11H,6-10H2,1-5H3,(H2,13,14)
InChIKeyCPSBIVXTRZVODS-UHFFFAOYSA-N
XLogP1.23
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.23
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 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine (CID 62363683) is 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine is CCC/N=C(\N)N(CCN(C)C)CC(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine?
The InChIKey is CPSBIVXTRZVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-6-7-14-12(13)16(10-11(2)3)9-8-15(4)5/h11H,6-10H2,1-5H3,(H2,13,14).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine?
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine is sourced from PubChem (CID 62363683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).