4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C8H19NO — CID 18672802

IUPAC4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCC(C)(C)OCCCCN
InChIInChI=1S/C8H19NO/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3
InChIKeyQRZWANKQFGYRAH-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxy]butan-1-amine

4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 18672802) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID18672802
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCC(C)(C)OCCCCN
InChIInChI=1S/C8H19NO/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3
InChIKeyQRZWANKQFGYRAH-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
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

1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
CID 166005910
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
2-(3-methoxypropoxy)-2-methylpropane
CID 13445097
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
11-[(2-methylpropan-2-yl)oxy]undec-1-yne
CID 15673920
4-[(2-methylpropan-2-yl)oxy]butyl formate
CID 54406246
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
N'-(1,1-dihexoxyethyl)pentane-1,5-diamine
CID 134503579

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 18672802) is 4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CC(C)(C)OCCCCN.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is QRZWANKQFGYRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 18672802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).