N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

C19H41IN4O — CID 111960246

IUPACN'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCN(CCC)CCC/N=C(\NCC)N1CCC(OCC)CC1.I
InChIInChI=1S/C19H40N4O.HI/c1-5-13-22(14-6-2)15-9-12-21-19(20-7-3)23-16-10-18(11-17-23)24-8-4;/h18H,5-17H2,1-4H3,(H,20,21);1H
InChIKeyXVCISCQWEWPSQK-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.58
Rot. Bonds11

About N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111960246) has the molecular formula C19H41IN4O and a molecular weight of 468.47 g/mol. Its IUPAC name is N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111960246
Molecular FormulaC19H41IN4O
Molecular Weight468.47 g/mol
Exact Mass468.23
IUPAC NameN'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCN(CCC)CCC/N=C(\NCC)N1CCC(OCC)CC1.I
InChIInChI=1S/C19H40N4O.HI/c1-5-13-22(14-6-2)15-9-12-21-19(20-7-3)23-16-10-18(11-17-23)24-8-4;/h18H,5-17H2,1-4H3,(H,20,21);1H
InChIKeyXVCISCQWEWPSQK-UHFFFAOYSA-N
XLogP3.58
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dipropylamino)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449459
4-ethoxy-N-ethyl-N'-[3-(2-methylpropoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959036
4-ethoxy-N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide
CID 111959537
methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111959262
methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate
CID 111959263
4-ethoxy-N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959650
4-ethoxy-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111958977
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958492
tert-butyl N-[3-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]propyl]-N-propan-2-ylcarbamate
CID 111960643
N'-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111959313
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
4-ethoxy-N-ethyl-N'-[3-(2-fluoro-N-methylanilino)propyl]piperidine-1-carboximidamide
CID 111959631

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 111960246) is N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCCN(CCC)CCC/N=C(\NCC)N1CCC(OCC)CC1.I.
What is the InChIKey of N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is XVCISCQWEWPSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O.HI/c1-5-13-22(14-6-2)15-9-12-21-19(20-7-3)23-16-10-18(11-17-23)24-8-4;/h18H,5-17H2,1-4H3,(H,20,21);1H.
What are the key properties of N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 468.47 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111960246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).