N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine

C16H29N3 — CID 139982395

IUPACN-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(c1ccccc1N)C(C)C
InChIInChI=1S/C16H29N3/c1-5-19(6-2)12-11-18-16(13(3)4)14-9-7-8-10-15(14)17/h7-10,13,16,18H,5-6,11-12,17H2,1-4H3
InChIKeySRENGVGZZCZPPR-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.90
Rot. Bonds8

About N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine

N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 139982395) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine
PubChem CID139982395
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(c1ccccc1N)C(C)C
InChIInChI=1S/C16H29N3/c1-5-19(6-2)12-11-18-16(13(3)4)14-9-7-8-10-15(14)17/h7-10,13,16,18H,5-6,11-12,17H2,1-4H3
InChIKeySRENGVGZZCZPPR-UHFFFAOYSA-N
XLogP2.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine (CID 139982395) is N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC(c1ccccc1N)C(C)C.
What is the InChIKey of N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is SRENGVGZZCZPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19(6-2)12-11-18-16(13(3)4)14-9-7-8-10-15(14)17/h7-10,13,16,18H,5-6,11-12,17H2,1-4H3.
What are the key properties of N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 139982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).