N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine

C14H19NS2 — CID 43760503

IUPACN-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)CCNC(c1cccs1)c1cccs1
InChIInChI=1S/C14H19NS2/c1-11(2)7-8-15-14(12-5-3-9-16-12)13-6-4-10-17-13/h3-6,9-11,14-15H,7-8H2,1-2H3
InChIKeyUCZFORAKHQCOHR-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.53
Rot. Bonds6

About N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine

N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine (PubChem CID 43760503) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
PubChem CID43760503
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC NameN-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)CCNC(c1cccs1)c1cccs1
InChIInChI=1S/C14H19NS2/c1-11(2)7-8-15-14(12-5-3-9-16-12)13-6-4-10-17-13/h3-6,9-11,14-15H,7-8H2,1-2H3
InChIKeyUCZFORAKHQCOHR-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

3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
N-(dithiophen-2-ylmethyl)-3-methylsulfonylpropan-1-amine
CID 54905323
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
2-(6-methylheptan-2-yl)thiophene
CID 141463687
N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60816965
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine (CID 43760503) is N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine is CC(C)CCNC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine?
The InChIKey is UCZFORAKHQCOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-11(2)7-8-15-14(12-5-3-9-16-12)13-6-4-10-17-13/h3-6,9-11,14-15H,7-8H2,1-2H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine?
N-(dithiophen-2-ylmethyl)-3-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)-3-methylbutan-1-amine is sourced from PubChem (CID 43760503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).