2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C14H29NO — CID 106452198

IUPAC2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(C)COCCNCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H29NO/c1-11(2)10-16-8-7-15-9-12-13(3,4)14(12,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyYCLQYSIYNIDPPT-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.93
Rot. Bonds7

About 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 106452198) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID106452198
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(C)COCCNCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H29NO/c1-11(2)10-16-8-7-15-9-12-13(3,4)14(12,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyYCLQYSIYNIDPPT-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.93
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

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 106457684
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 107844233
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
2-(2-methylpropoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897890
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
N-[2-(2-methylpropoxy)ethyl]hex-5-yn-1-amine
CID 106211399
N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106451162
2-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-1-amine
CID 106452518
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 106452198) is 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC(C)COCCNCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is YCLQYSIYNIDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)10-16-8-7-15-9-12-13(3,4)14(12,5)6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 227.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 106452198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).