1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine

C14H28N4 — CID 136925522

IUPAC1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
SMILESC=CCN/C(=N/CCCCN1CCCC1)NCC
InChIInChI=1S/C14H28N4/c1-3-9-16-14(15-4-2)17-10-5-6-11-18-12-7-8-13-18/h3H,1,4-13H2,2H3,(H2,15,16,17)
InChIKeyDZJGNZQAPWXYQP-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.60
Rot. Bonds8

About 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine

1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 136925522) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
PubChem CID136925522
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
SMILESC=CCN/C(=N/CCCCN1CCCC1)NCC
InChIInChI=1S/C14H28N4/c1-3-9-16-14(15-4-2)17-10-5-6-11-18-12-7-8-13-18/h3H,1,4-13H2,2H3,(H2,15,16,17)
InChIKeyDZJGNZQAPWXYQP-UHFFFAOYSA-N
XLogP1.60
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylpropyl)-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 71931268
1-Butyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 75462596
1-butyl-3-prop-2-enyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014335
1-butyl-3-prop-2-enyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014336
2-Methyl-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110982003
1-Ethyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110982005
N-methyl-1-prop-2-enylpyrrolidin-2-amine
CID 20332021
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine
CID 67899455
2-(1-Pyrrolidin-1-ylprop-2-enyl)guanidine
CID 70358009
N-pentyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 70555211

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine (CID 136925522) is 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine is C=CCN/C(=N/CCCCN1CCCC1)NCC.
What is the InChIKey of 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is DZJGNZQAPWXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-9-16-14(15-4-2)17-10-5-6-11-18-12-7-8-13-18/h3H,1,4-13H2,2H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 252.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-2-enyl-2-(4-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 136925522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).