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

C16H28N2 — CID 115205162

IUPAC4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1NCCCC(C)(C)N
InChIInChI=1S/C16H28N2/c1-12(2)14-8-7-13(3)15(11-14)18-10-6-9-16(4,5)17/h7-8,11-12,18H,6,9-10,17H2,1-5H3
InChIKeyJAKILWOIODPYHT-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.05
Rot. Bonds6

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

4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine (PubChem CID 115205162) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
PubChem CID115205162
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
SMILESCc1ccc(C(C)C)cc1NCCCC(C)(C)N
InChIInChI=1S/C16H28N2/c1-12(2)14-8-7-13(3)15(11-14)18-10-6-9-16(4,5)17/h7-8,11-12,18H,6,9-10,17H2,1-5H3
InChIKeyJAKILWOIODPYHT-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
CID 115233811
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
CID 115121142
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
CID 115250545
2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115254803
1-N-(5-chloro-2-fluorophenyl)-4-methylpentane-1,4-diamine
CID 115205164

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The IUPAC name of 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine (CID 115205162) is 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The canonical SMILES for 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine is Cc1ccc(C(C)C)cc1NCCCC(C)(C)N.
What is the InChIKey of 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
The InChIKey is JAKILWOIODPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)14-8-7-13(3)15(11-14)18-10-6-9-16(4,5)17/h7-8,11-12,18H,6,9-10,17H2,1-5H3.
What are the key properties of 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine?
4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 115205162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).