1,1-diethyl-3-prop-1-enyl-2-propylguanidine

C11H23N3 — CID 141286061

IUPAC1,1-diethyl-3-prop-1-enyl-2-propylguanidine
SMILESCC=CN/C(=N/CCC)N(CC)CC
InChIInChI=1S/C11H23N3/c1-5-9-12-11(13-10-6-2)14(7-3)8-4/h5,9H,6-8,10H2,1-4H3,(H,12,13)
InChIKeyVESKDTKEUZKOTH-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.22
Rot. Bonds5

About 1,1-diethyl-3-prop-1-enyl-2-propylguanidine

1,1-diethyl-3-prop-1-enyl-2-propylguanidine (PubChem CID 141286061) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1,1-diethyl-3-prop-1-enyl-2-propylguanidine.

Molecular Properties

Compound Name1,1-diethyl-3-prop-1-enyl-2-propylguanidine
PubChem CID141286061
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1,1-diethyl-3-prop-1-enyl-2-propylguanidine
SMILESCC=CN/C(=N/CCC)N(CC)CC
InChIInChI=1S/C11H23N3/c1-5-9-12-11(13-10-6-2)14(7-3)8-4/h5,9H,6-8,10H2,1-4H3,(H,12,13)
InChIKeyVESKDTKEUZKOTH-UHFFFAOYSA-N
XLogP2.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine
CID 104886562
1-ethyl-1,2-dipropylguanidine
CID 62359189
N-propylpent-3-en-2-imine
CID 123895305
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine
CID 104888011
N-ethenyl-N'-propylethanimidamide
CID 123737533

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-prop-1-enyl-2-propylguanidine?
The IUPAC name of 1,1-diethyl-3-prop-1-enyl-2-propylguanidine (CID 141286061) is 1,1-diethyl-3-prop-1-enyl-2-propylguanidine.
What is the SMILES notation for 1,1-diethyl-3-prop-1-enyl-2-propylguanidine?
The canonical SMILES for 1,1-diethyl-3-prop-1-enyl-2-propylguanidine is CC=CN/C(=N/CCC)N(CC)CC.
What is the InChIKey of 1,1-diethyl-3-prop-1-enyl-2-propylguanidine?
The InChIKey is VESKDTKEUZKOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-9-12-11(13-10-6-2)14(7-3)8-4/h5,9H,6-8,10H2,1-4H3,(H,12,13).
What are the key properties of 1,1-diethyl-3-prop-1-enyl-2-propylguanidine?
1,1-diethyl-3-prop-1-enyl-2-propylguanidine has a molecular weight of 197.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-prop-1-enyl-2-propylguanidine is sourced from PubChem (CID 141286061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).