1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine

C11H26N4 — CID 103189428

IUPAC1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)C(C)CN(C)C
InChIInChI=1S/C11H26N4/c1-6-8-13-11(12)15(7-2)10(3)9-14(4)5/h10H,6-9H2,1-5H3,(H2,12,13)
InChIKeyBQBSHUTYCYQEGV-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.98
Rot. Bonds6

About 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine

1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine (PubChem CID 103189428) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
PubChem CID103189428
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)C(C)CN(C)C
InChIInChI=1S/C11H26N4/c1-6-8-13-11(12)15(7-2)10(3)9-14(4)5/h10H,6-9H2,1-5H3,(H2,12,13)
InChIKeyBQBSHUTYCYQEGV-UHFFFAOYSA-N
XLogP0.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.98
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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Related Compounds

2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
CID 103189435
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
CID 62363683
1-butan-2-yl-1-methyl-2-propylguanidine
CID 62359367
1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-propylguanidine
CID 62361802
3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
CID 103192667
1-methyl-1-(1-methylsulfanylpropan-2-yl)-2-propylguanidine
CID 112660678
1-butan-2-yl-1-ethyl-2-hydroxyguanidine
CID 76944346
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
CID 103111146
1-ethyl-1,2-dipropylguanidine
CID 62359189
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
1-cyclopentyl-1-(2-methylpropyl)-2-propylguanidine
CID 78967103
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine (CID 103189428) is 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine is CCC/N=C(\N)N(CC)C(C)CN(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
The InChIKey is BQBSHUTYCYQEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-6-8-13-11(12)15(7-2)10(3)9-14(4)5/h10H,6-9H2,1-5H3,(H2,12,13).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine has a molecular weight of 214.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine is sourced from PubChem (CID 103189428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).