2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine

C15H26N2O — CID 106453609

IUPAC2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCOCC(C)C)c1ccccc1N
InChIInChI=1S/C15H26N2O/c1-4-9-17(10-11-18-12-13(2)3)15-8-6-5-7-14(15)16/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyLMIWQEUMJOYUAP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.16
Rot. Bonds8

About 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine

2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine (PubChem CID 106453609) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
PubChem CID106453609
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCOCC(C)C)c1ccccc1N
InChIInChI=1S/C15H26N2O/c1-4-9-17(10-11-18-12-13(2)3)15-8-6-5-7-14(15)16/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyLMIWQEUMJOYUAP-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.16
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

2-N-[2-(3-methylbutoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 55174201
2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
CID 103410200
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
2-N-[2-(4-bromophenoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 63230197
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-(2-amino-N-propylanilino)acetonitrile
CID 63230761
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine (CID 106453609) is 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine is CCCN(CCOCC(C)C)c1ccccc1N.
What is the InChIKey of 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine?
The InChIKey is LMIWQEUMJOYUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-17(10-11-18-12-13(2)3)15-8-6-5-7-14(15)16/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine?
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 106453609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).