N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine

C14H19NS2 — CID 62694333

IUPACN-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C14H19NS2/c1-3-11(2)10-15-14(12-6-4-8-16-12)13-7-5-9-17-13/h4-9,11,14-15H,3,10H2,1-2H3
InChIKeyPZPSLSQVRWAGNS-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.53
Rot. Bonds6

About N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine

N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine (PubChem CID 62694333) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
PubChem CID62694333
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC NameN-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C14H19NS2/c1-3-11(2)10-15-14(12-6-4-8-16-12)13-7-5-9-17-13/h4-9,11,14-15H,3,10H2,1-2H3
InChIKeyPZPSLSQVRWAGNS-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60816965
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
2-propan-2-ylthiophene
CID 178128598
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43106519
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747
N-(dithiophen-2-ylmethyl)-3-methylsulfonylpropan-1-amine
CID 54905323
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine (CID 62694333) is N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine is CCC(C)CNC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is PZPSLSQVRWAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-3-11(2)10-15-14(12-6-4-8-16-12)13-7-5-9-17-13/h4-9,11,14-15H,3,10H2,1-2H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine?
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 265.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 62694333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).