N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride

C11H25ClN2OS — CID 119630726

IUPACN-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride
SMILESCCCCSCCC(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-4-5-7-15-8-6-10(14)13-9-11(2,3)12;/h4-9,12H2,1-3H3,(H,13,14);1H
InChIKeyVVVMJMLTGCTBLO-UHFFFAOYSA-N
MW268.85 g/mol
LogP2.19
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride (PubChem CID 119630726) has the molecular formula C11H25ClN2OS and a molecular weight of 268.85 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride
PubChem CID119630726
Molecular FormulaC11H25ClN2OS
Molecular Weight268.85 g/mol
Exact Mass268.14
IUPAC NameN-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride
SMILESCCCCSCCC(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-4-5-7-15-8-6-10(14)13-9-11(2,3)12;/h4-9,12H2,1-3H3,(H,13,14);1H
InChIKeyVVVMJMLTGCTBLO-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.85
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025
N-(1-amino-2-methylpropan-2-yl)-3-butylsulfanylpropanamide
CID 119525174
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
4-butylsulfanylbutanehydrazide
CID 63582322
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
2-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112781221
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
(2S)-2-(3-butylsulfanylpropanoylamino)propanoic acid
CID 103791009
trimethyl-[3-(3-tetradecylsulfanylpropanoylamino)propyl]azanium
CID 139603286
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
(2R)-2-amino-2-(2-butylsulfanylethyl)-3,3-dimethylbutanoic acid
CID 91364833
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride (CID 119630726) is N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride is CCCCSCCC(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride?
The InChIKey is VVVMJMLTGCTBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS.ClH/c1-4-5-7-15-8-6-10(14)13-9-11(2,3)12;/h4-9,12H2,1-3H3,(H,13,14);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride has a molecular weight of 268.85 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-butylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119630726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).