N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride

C19H30ClN3O2 — CID 120809758

IUPACN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride
SMILESCc1cc(C(=O)N2CCC(C)(CN)C2)ccc1NC(=O)CC(C)C.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)9-17(23)21-16-6-5-15(10-14(16)3)18(24)22-8-7-19(4,11-20)12-22;/h5-6,10,13H,7-9,11-12,20H2,1-4H3,(H,21,23);1H
InChIKeySHYLACXQICSIMA-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.21
Rot. Bonds5

About N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride

N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride (PubChem CID 120809758) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride
PubChem CID120809758
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride
SMILESCc1cc(C(=O)N2CCC(C)(CN)C2)ccc1NC(=O)CC(C)C.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)9-17(23)21-16-6-5-15(10-14(16)3)18(24)22-8-7-19(4,11-20)12-22;/h5-6,10,13H,7-9,11-12,20H2,1-4H3,(H,21,23);1H
InChIKeySHYLACXQICSIMA-UHFFFAOYSA-N
XLogP3.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
CID 119493105
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120804882
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]propan-1-one
CID 120807183
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
CID 120808564
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone;dihydrochloride
CID 120803660
1-[3-methyl-4-(3-methylbutanoylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355410
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 119483613

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride (CID 120809758) is N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride is Cc1cc(C(=O)N2CCC(C)(CN)C2)ccc1NC(=O)CC(C)C.Cl.
What is the InChIKey of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride?
The InChIKey is SHYLACXQICSIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13(2)9-17(23)21-16-6-5-15(10-14(16)3)18(24)22-8-7-19(4,11-20)12-22;/h5-6,10,13H,7-9,11-12,20H2,1-4H3,(H,21,23);1H.
What are the key properties of N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride?
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 120809758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).