2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine

C15H26N2O — CID 60693914

IUPAC2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCCOc1ccccc1
InChIInChI=1S/C15H26N2O/c1-15(2,17(3)4)13-16-11-8-12-18-14-9-6-5-7-10-14/h5-7,9-10,16H,8,11-13H2,1-4H3
InChIKeyNNYJTHYZIGXIMM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.39
Rot. Bonds8

About 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine (PubChem CID 60693914) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
PubChem CID60693914
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCCOc1ccccc1
InChIInChI=1S/C15H26N2O/c1-15(2,17(3)4)13-16-11-8-12-18-14-9-6-5-7-10-14/h5-7,9-10,16H,8,11-13H2,1-4H3
InChIKeyNNYJTHYZIGXIMM-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
CID 60688858
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
CID 80526261
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
N-methyl-3-phenoxypropan-1-amine
CID 22067856
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine (CID 60693914) is 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine is CN(C)C(C)(C)CNCCCOc1ccccc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine?
The InChIKey is NNYJTHYZIGXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,17(3)4)13-16-11-8-12-18-14-9-6-5-7-10-14/h5-7,9-10,16H,8,11-13H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine is sourced from PubChem (CID 60693914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).