1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine

C14H28N4 — CID 111316428

IUPAC1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
SMILESC=CC/N=C(\NCC)NC1CCN(C(C)C)CC1
InChIInChI=1S/C14H28N4/c1-5-9-16-14(15-6-2)17-13-7-10-18(11-8-13)12(3)4/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17)
InChIKeySWFQKRAHMSMNKY-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.60
Rot. Bonds5

About 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine

1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine (PubChem CID 111316428) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
PubChem CID111316428
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
SMILESC=CC/N=C(\NCC)NC1CCN(C(C)C)CC1
InChIInChI=1S/C14H28N4/c1-5-9-16-14(15-6-2)17-13-7-10-18(11-8-13)12(3)4/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17)
InChIKeySWFQKRAHMSMNKY-UHFFFAOYSA-N
XLogP1.60
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.60
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
1-ethyl-2-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319264
1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319397
1-ethyl-2-(2-methylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316870
2-(2-ethoxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318357
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830390
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111318000
2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide
CID 111318596
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine (CID 111316428) is 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine is C=CC/N=C(\NCC)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine?
The InChIKey is SWFQKRAHMSMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-9-16-14(15-6-2)17-13-7-10-18(11-8-13)12(3)4/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine?
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine has a molecular weight of 252.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine is sourced from PubChem (CID 111316428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).