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

C14H29NO — CID 106205944

IUPAC3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)COCCC1CC1
InChIInChI=1S/C14H29NO/c1-12(2)9-15-10-14(3,4)11-16-8-7-13-5-6-13/h12-13,15H,5-11H2,1-4H3
InChIKeyHKHZUOCYDHQDDM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds9

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

3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 106205944) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID106205944
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)COCCC1CC1
InChIInChI=1S/C14H29NO/c1-12(2)9-15-10-14(3,4)11-16-8-7-13-5-6-13/h12-13,15H,5-11H2,1-4H3
InChIKeyHKHZUOCYDHQDDM-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
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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Related Compounds

3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
CID 79621624
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 106206190
3-cyclopentyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79621156
N-[2-(2-cyclobutylethoxy)ethyl]-2-methylpropan-1-amine
CID 106205978
3-cycloheptyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626713
2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902
2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane
CID 106201186
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine
CID 79619899
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 106931007
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 106205944) is 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)COCCC1CC1.
What is the InChIKey of 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is HKHZUOCYDHQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)9-15-10-14(3,4)11-16-8-7-13-5-6-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 106205944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).