N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine

C15H26N2O — CID 113405493

IUPACN'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCCOc1ccccc1
InChIInChI=1S/C15H26N2O/c1-14(2)13-17-11-10-16-9-6-12-18-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyJGQASGTWXLRLPX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds10

About N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine

N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine (PubChem CID 113405493) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
PubChem CID113405493
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCCOc1ccccc1
InChIInChI=1S/C15H26N2O/c1-14(2)13-17-11-10-16-9-6-12-18-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyJGQASGTWXLRLPX-UHFFFAOYSA-N
XLogP2.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
1-(2-phenoxyethylamino)propane-2-thiol;hydrochloride
CID 24843389
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
4-(3-phenoxypropylamino)butanenitrile
CID 60696999

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine (CID 113405493) is N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine is CC(C)CNCCNCCCOc1ccccc1.
What is the InChIKey of N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine?
The InChIKey is JGQASGTWXLRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2)13-17-11-10-16-9-6-12-18-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 113405493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).