N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride

C16H27ClN2OS — CID 119573045

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCCCCc1cccs1)C1CC1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-16(12-17,13-9-10-13)18-15(19)8-4-2-3-6-14-7-5-11-20-14;/h5,7,11,13H,2-4,6,8-10,12,17H2,1H3,(H,18,19);1H
InChIKeyAJPPXSCWJDKSBY-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.52
Rot. Bonds9

About N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride (PubChem CID 119573045) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride
PubChem CID119573045
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCCCCc1cccs1)C1CC1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-16(12-17,13-9-10-13)18-15(19)8-4-2-3-6-14-7-5-11-20-14;/h5,7,11,13H,2-4,6,8-10,12,17H2,1H3,(H,18,19);1H
InChIKeyAJPPXSCWJDKSBY-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.52
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-(1-amino-2-cyclopropylpropan-2-yl)-3-thiophen-2-ylpropanamide
CID 119573701
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
6-thiophen-2-ylhexanamide
CID 137320292
5-thiophen-2-ylpentanehydrazide
CID 70194284
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119575175
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 119576066
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide
CID 61120765
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
CID 119574926
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride (CID 119573045) is N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride is CC(CN)(NC(=O)CCCCCc1cccs1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride?
The InChIKey is AJPPXSCWJDKSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-16(12-17,13-9-10-13)18-15(19)8-4-2-3-6-14-7-5-11-20-14;/h5,7,11,13H,2-4,6,8-10,12,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride is sourced from PubChem (CID 119573045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).