2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile

C16H26N2S — CID 106709914

IUPAC2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
SMILESCC(C)N(CCCCC(C)(C)C#N)Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-14(2)18(12-15-8-7-11-19-15)10-6-5-9-16(3,4)13-17/h7-8,11,14H,5-6,9-10,12H2,1-4H3
InChIKeyZDYHQZYTQRUNNU-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.68
Rot. Bonds8

About 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile

2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile (PubChem CID 106709914) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
PubChem CID106709914
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
SMILESCC(C)N(CCCCC(C)(C)C#N)Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-14(2)18(12-15-8-7-11-19-15)10-6-5-9-16(3,4)13-17/h7-8,11,14H,5-6,9-10,12H2,1-4H3
InChIKeyZDYHQZYTQRUNNU-UHFFFAOYSA-N
XLogP4.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
5-[(3-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylpentanenitrile
CID 65255927
5-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylpentanenitrile
CID 65255928
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile (CID 106709914) is 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile is CC(C)N(CCCCC(C)(C)C#N)Cc1cccs1.
What is the InChIKey of 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile?
The InChIKey is ZDYHQZYTQRUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-14(2)18(12-15-8-7-11-19-15)10-6-5-9-16(3,4)13-17/h7-8,11,14H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile?
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile has a molecular weight of 278.46 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile is sourced from PubChem (CID 106709914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).