2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine

C13H29NO2 — CID 112587455

IUPAC2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
SMILESCC(C)CNCCCOCCOC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2)11-14-7-6-8-15-9-10-16-13(3,4)5/h12,14H,6-11H2,1-5H3
InChIKeyNFKOOEZXVHSPNX-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine

2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine (PubChem CID 112587455) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
PubChem CID112587455
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
SMILESCC(C)CNCCCOCCOC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2)11-14-7-6-8-15-9-10-16-13(3,4)5/h12,14H,6-11H2,1-5H3
InChIKeyNFKOOEZXVHSPNX-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
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-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
CID 79679402
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine (CID 112587455) is 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine is CC(C)CNCCCOCCOC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine?
The InChIKey is NFKOOEZXVHSPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2)11-14-7-6-8-15-9-10-16-13(3,4)5/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine?
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine is sourced from PubChem (CID 112587455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).