N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

C16H28N2 — CID 116904701

IUPACN,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCc1ccc(C(C)C)cc1C(C(C)CN)N(C)C
InChIInChI=1S/C16H28N2/c1-11(2)14-8-7-12(3)15(9-14)16(18(5)6)13(4)10-17/h7-9,11,13,16H,10,17H2,1-6H3
InChIKeyQGDAKBJNYLVGLQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.32
Rot. Bonds5

About N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine

N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 116904701) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID116904701
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
SMILESCc1ccc(C(C)C)cc1C(C(C)CN)N(C)C
InChIInChI=1S/C16H28N2/c1-11(2)14-8-7-12(3)15(9-14)16(18(5)6)13(4)10-17/h7-9,11,13,16H,10,17H2,1-6H3
InChIKeyQGDAKBJNYLVGLQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
1-hydrazinyl-N,N-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116914916
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine (CID 116904701) is N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is Cc1ccc(C(C)C)cc1C(C(C)CN)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is QGDAKBJNYLVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)14-8-7-12(3)15(9-14)16(18(5)6)13(4)10-17/h7-9,11,13,16H,10,17H2,1-6H3.
What are the key properties of N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine?
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.32, 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-methyl-5-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116904701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).