1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide

C14H29IN4 — CID 110980072

IUPAC1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
SMILESC=CCN/C(=N/CC1CCN(CCC)C1)NCC.I
InChIInChI=1S/C14H28N4.HI/c1-4-8-16-14(15-6-3)17-11-13-7-10-18(12-13)9-5-2;/h4,13H,1,5-12H2,2-3H3,(H2,15,16,17);1H
InChIKeyDQDIIDXJBZQYCX-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.08
Rot. Bonds7

About 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide

1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide (PubChem CID 110980072) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
PubChem CID110980072
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
SMILESC=CCN/C(=N/CC1CCN(CCC)C1)NCC.I
InChIInChI=1S/C14H28N4.HI/c1-4-8-16-14(15-6-3)17-11-13-7-10-18(12-13)9-5-2;/h4,13H,1,5-12H2,2-3H3,(H2,15,16,17);1H
InChIKeyDQDIIDXJBZQYCX-UHFFFAOYSA-N
XLogP2.08
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.08
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': 'iodine', '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;hydroiodide
CID 71931267
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;hydroiodide
CID 75462595
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
1,2-Dimethyl-1-pent-4-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 109496583
1,2-Dimethyl-1-pent-4-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 109496584
3-Ethyl-1-methyl-1-pent-4-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 109499411
2-Methyl-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110982002
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;hydroiodide
CID 110982004

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide (CID 110980072) is 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide is C=CCN/C(=N/CC1CCN(CCC)C1)NCC.I.
What is the InChIKey of 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is DQDIIDXJBZQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-4-8-16-14(15-6-3)17-11-13-7-10-18(12-13)9-5-2;/h4,13H,1,5-12H2,2-3H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
1-ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 2.08, 7 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-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110980072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).