1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine

C15H26N2S — CID 116905819

IUPAC1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
SMILESCSc1ccc(C(CCC(C)(C)N)N(C)C)cc1
InChIInChI=1S/C15H26N2S/c1-15(2,16)11-10-14(17(3)4)12-6-8-13(18-5)9-7-12/h6-9,14H,10-11,16H2,1-5H3
InChIKeyKOFZDRWMOMQVFQ-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.53
Rot. Bonds6

About 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine

1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine (PubChem CID 116905819) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
PubChem CID116905819
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
SMILESCSc1ccc(C(CCC(C)(C)N)N(C)C)cc1
InChIInChI=1S/C15H26N2S/c1-15(2,16)11-10-14(17(3)4)12-6-8-13(18-5)9-7-12/h6-9,14H,10-11,16H2,1-5H3
InChIKeyKOFZDRWMOMQVFQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
CID 116905803
1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905841
1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905015
1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905818
N-methyl-N-(2-methylpropyl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43271958
1-N,4-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]pentane-1,3-diamine
CID 115317249
3,3-dimethyl-4-(4-methylsulfanylphenyl)butan-1-amine
CID 116925151
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 115157586
[4-methyl-1-(4-methylsulfanylphenyl)pentyl]hydrazine
CID 105294254
N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine
CID 155070359

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine (CID 116905819) is 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine is CSc1ccc(C(CCC(C)(C)N)N(C)C)cc1.
What is the InChIKey of 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine?
The InChIKey is KOFZDRWMOMQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-15(2,16)11-10-14(17(3)4)12-6-8-13(18-5)9-7-12/h6-9,14H,10-11,16H2,1-5H3.
What are the key properties of 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine?
1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 116905819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).