N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C15H30IN3 — CID 109490263

IUPACN-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESC=CC/N=C(\NCC)N1CCCC(C)(CCC)C1.I
InChIInChI=1S/C15H29N3.HI/c1-5-9-15(4)10-8-12-18(13-15)14(16-7-3)17-11-6-2;/h6H,2,5,7-13H2,1,3-4H3,(H,16,17);1H
InChIKeySQHADJYZGMWEQW-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490263) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490263
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC NameN-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESC=CC/N=C(\NCC)N1CCCC(C)(CCC)C1.I
InChIInChI=1S/C15H29N3.HI/c1-5-9-15(4)10-8-12-18(13-15)14(16-7-3)17-11-6-2;/h6H,2,5,7-13H2,1,3-4H3,(H,16,17);1H
InChIKeySQHADJYZGMWEQW-UHFFFAOYSA-N
XLogP3.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.66
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905149
(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905150
(3R,5R)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905151
N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 99846274
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 109469011
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 109469711
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 109469712
N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490114
N',3-dimethyl-N,3-dipropylpiperidine-1-carboximidamide;hydroiodide
CID 109490126
N',3-dimethyl-N,3-dipropylpiperidine-1-carboximidamide
CID 109490127
N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide
CID 109490264
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490391

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490263) is N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide is C=CC/N=C(\NCC)N1CCCC(C)(CCC)C1.I.
What is the InChIKey of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is SQHADJYZGMWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-5-9-15(4)10-8-12-18(13-15)14(16-7-3)17-11-6-2;/h6H,2,5,7-13H2,1,3-4H3,(H,16,17);1H.
What are the key properties of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).