2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine

C14H26N2S — CID 115200327

IUPAC2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
SMILESCc1ccsc1C(C)(C)CNCC(C)(C)CN
InChIInChI=1S/C14H26N2S/c1-11-6-7-17-12(11)14(4,5)10-16-9-13(2,3)8-15/h6-7,16H,8-10,15H2,1-5H3
InChIKeySOORTXKUEUPFAT-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.91
Rot. Bonds6

About 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine

2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine (PubChem CID 115200327) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
PubChem CID115200327
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
SMILESCc1ccsc1C(C)(C)CNCC(C)(C)CN
InChIInChI=1S/C14H26N2S/c1-11-6-7-17-12(11)14(4,5)10-16-9-13(2,3)8-15/h6-7,16H,8-10,15H2,1-5H3
InChIKeySOORTXKUEUPFAT-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
CID 112565165
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
2-methyl-2-(3-methylthiophen-2-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238232
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
CID 79995989
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115188496
N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200140

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine (CID 115200327) is 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine is Cc1ccsc1C(C)(C)CNCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine?
The InChIKey is SOORTXKUEUPFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11-6-7-17-12(11)14(4,5)10-16-9-13(2,3)8-15/h6-7,16H,8-10,15H2,1-5H3.
What are the key properties of 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine?
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 115200327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).