3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine

C17H30N2O — CID 80740319

IUPAC3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)CCCC(C)Nc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-12(2)7-6-8-14(5)19-16-9-15(18)10-17(11-16)20-13(3)4/h9-14,19H,6-8,18H2,1-5H3
InChIKeyIFPFDNAZNZMMSE-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.68
Rot. Bonds8

About 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine

3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80740319) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80740319
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)CCCC(C)Nc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-12(2)7-6-8-14(5)19-16-9-15(18)10-17(11-16)20-13(3)4/h9-14,19H,6-8,18H2,1-5H3
InChIKeyIFPFDNAZNZMMSE-UHFFFAOYSA-N
XLogP4.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 113498930
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80735464
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80740319) is 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine is CC(C)CCCC(C)Nc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is IFPFDNAZNZMMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)7-6-8-14(5)19-16-9-15(18)10-17(11-16)20-13(3)4/h9-14,19H,6-8,18H2,1-5H3.
What are the key properties of 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80740319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).