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

C15H29N3 — CID 109490264

IUPACN-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCCC(C)(CCC)C1
InChIInChI=1S/C15H29N3/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)
InChIKeyPTMKQQOBSTXPBJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.04
Rot. Bonds5

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

N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490264) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490264
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCCC(C)(CCC)C1
InChIInChI=1S/C15H29N3/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)
InChIKeyPTMKQQOBSTXPBJ-UHFFFAOYSA-N
XLogP3.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.04
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490708
N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490928
(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
CID 109469012
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
CID 109490115
N',3-dimethyl-N,3-dipropylpiperidine-1-carboximidamide;hydroiodide
CID 109490126
N',3-dimethyl-N,3-dipropylpiperidine-1-carboximidamide
CID 109490127

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide (CID 109490264) is N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide is C=CC/N=C(\NCC)N1CCCC(C)(CCC)C1.
What is the InChIKey of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is PTMKQQOBSTXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/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).
What are the key properties of N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide?
N-ethyl-3-methyl-N'-prop-2-enyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 251.42 g/mol, XLogP of 3.04, 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 is sourced from PubChem (CID 109490264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).