N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

C17H25ClN2O3 — CID 119569054

IUPACN-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1=Cc2cccc(OC)c2OC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-4-17(5-2,11-18)19-16(20)13-9-12-7-6-8-14(21-3)15(12)22-10-13;/h6-9H,4-5,10-11,18H2,1-3H3,(H,19,20);1H
InChIKeyCCKTYTVBIUGGJA-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.53
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119569054) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119569054
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1=Cc2cccc(OC)c2OC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-4-17(5-2,11-18)19-16(20)13-9-12-7-6-8-14(21-3)15(12)22-10-13;/h6-9H,4-5,10-11,18H2,1-3H3,(H,19,20);1H
InChIKeyCCKTYTVBIUGGJA-UHFFFAOYSA-N
XLogP2.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119605897
N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
CID 119572685
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
3-ethoxy-1-[(8-methoxy-2H-chromene-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699808
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
CID 119438960
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (CID 119569054) is N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1=Cc2cccc(OC)c2OC1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is CCKTYTVBIUGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-4-17(5-2,11-18)19-16(20)13-9-12-7-6-8-14(21-3)15(12)22-10-13;/h6-9H,4-5,10-11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119569054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).