N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine

C14H26N2S — CID 102913382

IUPACN'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(C)C(CNCC(N)c1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-10(2)12(11(3)4)8-16-9-13(15)14-6-5-7-17-14/h5-7,10-13,16H,8-9,15H2,1-4H3
InChIKeyJIBHGBCSNCUJQO-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.27
Rot. Bonds7

About N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine

N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 102913382) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID102913382
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(C)C(CNCC(N)c1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-10(2)12(11(3)4)8-16-9-13(15)14-6-5-7-17-14/h5-7,10-13,16H,8-9,15H2,1-4H3
InChIKeyJIBHGBCSNCUJQO-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823
1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106313152
N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287820
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
2-propan-2-ylthiophene
CID 178128598
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine (CID 102913382) is N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine is CC(C)C(CNCC(N)c1cccs1)C(C)C.
What is the InChIKey of N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is JIBHGBCSNCUJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-10(2)12(11(3)4)8-16-9-13(15)14-6-5-7-17-14/h5-7,10-13,16H,8-9,15H2,1-4H3.
What are the key properties of N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine?
N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 102913382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).