N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine

C14H24N2 — CID 116905402

IUPACN,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
SMILESCc1ccccc1C(C(C)CCN)N(C)C
InChIInChI=1S/C14H24N2/c1-11-7-5-6-8-13(11)14(16(3)4)12(2)9-10-15/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyOLXWBFBYSPCBIG-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.58
Rot. Bonds5

About N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine

N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine (PubChem CID 116905402) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
PubChem CID116905402
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
SMILESCc1ccccc1C(C(C)CCN)N(C)C
InChIInChI=1S/C14H24N2/c1-11-7-5-6-8-13(11)14(16(3)4)12(2)9-10-15/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyOLXWBFBYSPCBIG-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
3-fluoro-3-(2-methylphenyl)propan-1-amine
CID 84652798
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 115318732
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905378
3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine?
The IUPAC name of N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine (CID 116905402) is N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine is Cc1ccccc1C(C(C)CCN)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine?
The InChIKey is OLXWBFBYSPCBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-7-5-6-8-13(11)14(16(3)4)12(2)9-10-15/h5-8,12,14H,9-10,15H2,1-4H3.
What are the key properties of N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine?
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116905402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).