2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C11H18N2OS — CID 90949522

IUPAC2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CN(Cc1cccs1)C(C)C)N=O
InChIInChI=1S/C11H18N2OS/c1-9(2)13(7-10(3)12-14)8-11-5-4-6-15-11/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKGVVDANFKNHEAF-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.11
Rot. Bonds6

About 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine

2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 90949522) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID90949522
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CN(Cc1cccs1)C(C)C)N=O
InChIInChI=1S/C11H18N2OS/c1-9(2)13(7-10(3)12-14)8-11-5-4-6-15-11/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKGVVDANFKNHEAF-UHFFFAOYSA-N
XLogP3.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
2,3,5-Trimethyl-6-(2-thienyl)pyrazine 1,4-dioxide
CID 1600110
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-(Azepan-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 16461932
N,N-Dimethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine
CID 3154216
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(Dimethylamino)-2-(thiophen-2-yl)acetonitrile
CID 10702333
(2-Amino-2-(thiophen-2-yl)ethyl)dimethylamine
CID 16228092
2-Thiophen-2-yl-1,4,7,10-tetrazacyclododecane
CID 44453742
2-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45261293
N-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 45822219
Cambridge id 5425530
CID 757773

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 90949522) is 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CN(Cc1cccs1)C(C)C)N=O.
What is the InChIKey of 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is KGVVDANFKNHEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(2)13(7-10(3)12-14)8-11-5-4-6-15-11/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-N-propan-2-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 90949522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).