4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine

C15H26N2O — CID 83002018

IUPAC4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCCCCN(C)c1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-6-7-10-17(4)13-8-9-14(16)15(11-13)18-12(2)3/h8-9,11-12H,5-7,10,16H2,1-4H3
InChIKeyMCKROVPTONBHFX-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.68
Rot. Bonds7

About 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine

4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002018) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002018
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCCCCN(C)c1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-6-7-10-17(4)13-8-9-14(16)15(11-13)18-12(2)3/h8-9,11-12H,5-7,10,16H2,1-4H3
InChIKeyMCKROVPTONBHFX-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-N-[(4-bromophenyl)methyl]-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004684
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
CID 103187566
3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
CID 83002102
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83004680
4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004693
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002388
4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002804

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine (CID 83002018) is 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine is CCCCCN(C)c1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is MCKROVPTONBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-7-10-17(4)13-8-9-14(16)15(11-13)18-12(2)3/h8-9,11-12H,5-7,10,16H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine?
4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).