1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine

C17H30N2 — CID 115205259

IUPAC1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1N(C)CCCC(C)(C)N
InChIInChI=1S/C17H30N2/c1-13(2)15-9-8-14(3)16(12-15)19(6)11-7-10-17(4,5)18/h8-9,12-13H,7,10-11,18H2,1-6H3
InChIKeyWUERIKYHMFRJJZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.07
Rot. Bonds6

About 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine

1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine (PubChem CID 115205259) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
PubChem CID115205259
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1N(C)CCCC(C)(C)N
InChIInChI=1S/C17H30N2/c1-13(2)15-9-8-14(3)16(12-15)19(6)11-7-10-17(4,5)18/h8-9,12-13H,7,10-11,18H2,1-6H3
InChIKeyWUERIKYHMFRJJZ-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-tert-butyl-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200470
1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205162
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
CID 115136280
1-N-(4-bromo-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028807
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
1-N,3-dimethyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)butane-1,3-diamine
CID 115200549
methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
CID 117043228

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine (CID 115205259) is 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine is Cc1ccc(C(C)C)cc1N(C)CCCC(C)(C)N.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The InChIKey is WUERIKYHMFRJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)15-9-8-14(3)16(12-15)19(6)11-7-10-17(4,5)18/h8-9,12-13H,7,10-11,18H2,1-6H3.
What are the key properties of 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 115205259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).