N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine

C14H23NS — CID 79330038

IUPACN-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(C)s1)CNCC(C)C
InChIInChI=1S/C14H23NS/c1-5-13(10-15-9-11(2)3)8-14-7-6-12(4)16-14/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyZDIPKJXDPITFEL-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.10
Rot. Bonds6

About N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine

N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine (PubChem CID 79330038) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
PubChem CID79330038
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(C)s1)CNCC(C)C
InChIInChI=1S/C14H23NS/c1-5-13(10-15-9-11(2)3)8-14-7-6-12(4)16-14/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyZDIPKJXDPITFEL-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-methylthiophen-2-yl)methylidene]-N-propylbutan-1-amine
CID 79329770
2-[(4-bromo-5-chlorothiophen-2-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 102845586
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79329717
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329020
N-(2-methylpropyl)-2-[(2-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79330139
2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 113394137
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79341702
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218
2-[(4-bromo-3-nitrophenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79330384
(E)-2-methyl-3-(5-methylthiophen-2-yl)prop-2-enal
CID 15080954

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine (CID 79330038) is N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine is CCC(=Cc1ccc(C)s1)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine?
The InChIKey is ZDIPKJXDPITFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-13(10-15-9-11(2)3)8-14-7-6-12(4)16-14/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine?
N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(5-methylthiophen-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79330038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).