2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine

C14H31NO2 — CID 79621624

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
SMILESCC(C)CNCC(C)(C)COCCOC(C)C
InChIInChI=1S/C14H31NO2/c1-12(2)9-15-10-14(5,6)11-16-7-8-17-13(3)4/h12-13,15H,7-11H2,1-6H3
InChIKeyBABQSEQAEOHFMH-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.70
Rot. Bonds10

About 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine (PubChem CID 79621624) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
PubChem CID79621624
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
SMILESCC(C)CNCC(C)(C)COCCOC(C)C
InChIInChI=1S/C14H31NO2/c1-12(2)9-15-10-14(5,6)11-16-7-8-17-13(3)4/h12-13,15H,7-11H2,1-6H3
InChIKeyBABQSEQAEOHFMH-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.70
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

3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 106205944
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
3-cyclopentyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79621156
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
CID 175110139
3-cycloheptyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626713
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
CID 106276148
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine (CID 79621624) is 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine is CC(C)CNCC(C)(C)COCCOC(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine?
The InChIKey is BABQSEQAEOHFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-12(2)9-15-10-14(5,6)11-16-7-8-17-13(3)4/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine is sourced from PubChem (CID 79621624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).