N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide

C13H20N4 — CID 116512824

IUPACN-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCCc2ccccc21
InChIInChI=1S/C13H20N4/c1-10(2)15-13(16-14)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,10H,5,7,9,14H2,1-2H3,(H,15,16)
InChIKeyKISFRWJBTXCDNC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.67
Rot. Bonds1

About N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide

N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 116512824) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID116512824
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCCc2ccccc21
InChIInChI=1S/C13H20N4/c1-10(2)15-13(16-14)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,10H,5,7,9,14H2,1-2H3,(H,15,16)
InChIKeyKISFRWJBTXCDNC-UHFFFAOYSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
CID 82683241
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 17036150
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 116512824) is N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide is CC(C)/N=C(\NN)N1CCCc2ccccc21.
What is the InChIKey of N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is KISFRWJBTXCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)15-13(16-14)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8,10H,5,7,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 116512824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).