N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine

C15H26N2 — CID 55085467

IUPACN-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CCNCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-15(2,3)10-11-16-12-13-17(4)14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3
InChIKeyRZRXZEHXDGURLH-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.15
Rot. Bonds6

About N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine

N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine (PubChem CID 55085467) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
PubChem CID55085467
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CCNCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-15(2,3)10-11-16-12-13-17(4)14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3
InChIKeyRZRXZEHXDGURLH-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine (CID 55085467) is N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine is CN(CCNCCC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is RZRXZEHXDGURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(2,3)10-11-16-12-13-17(4)14-8-6-5-7-9-14/h5-9,16H,10-13H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine?
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 55085467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).