N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine

C16H29NS — CID 43692705

IUPACN-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
SMILESCCCCCCCC(C)NC(C)Cc1cccs1
InChIInChI=1S/C16H29NS/c1-4-5-6-7-8-10-14(2)17-15(3)13-16-11-9-12-18-16/h9,11-12,14-15,17H,4-8,10,13H2,1-3H3
InChIKeyUVMHBPJHELZKBN-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.02
Rot. Bonds10

About N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine

N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine (PubChem CID 43692705) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
PubChem CID43692705
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
SMILESCCCCCCCC(C)NC(C)Cc1cccs1
InChIInChI=1S/C16H29NS/c1-4-5-6-7-8-10-14(2)17-15(3)13-16-11-9-12-18-16/h9,11-12,14-15,17H,4-8,10,13H2,1-3H3
InChIKeyUVMHBPJHELZKBN-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838
1-thiophen-2-yltridecan-2-amine
CID 65428259
2-(2-butyloctyl)thiophene
CID 66609412
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
CID 115893295
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine (CID 43692705) is N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine is CCCCCCCC(C)NC(C)Cc1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine?
The InChIKey is UVMHBPJHELZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-4-5-6-7-8-10-14(2)17-15(3)13-16-11-9-12-18-16/h9,11-12,14-15,17H,4-8,10,13H2,1-3H3.
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine?
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine has a molecular weight of 267.48 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine is sourced from PubChem (CID 43692705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).