3-[(2-methylpropan-2-yl)oxy]pentan-1-amine

C9H21NO — CID 43368459

IUPAC3-[(2-methylpropan-2-yl)oxy]pentan-1-amine
SMILESCCC(CCN)OC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-7-10)11-9(2,3)4/h8H,5-7,10H2,1-4H3
InChIKeyJHKQAXWCYRTDSB-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine

3-[(2-methylpropan-2-yl)oxy]pentan-1-amine (PubChem CID 43368459) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]pentan-1-amine
PubChem CID43368459
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]pentan-1-amine
SMILESCCC(CCN)OC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-7-10)11-9(2,3)4/h8H,5-7,10H2,1-4H3
InChIKeyJHKQAXWCYRTDSB-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
3-(difluoromethoxy)pentan-1-amine
CID 84716511
trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium
CID 147336259
3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane
CID 142260461
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine
CID 163603842
3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 43127622
(3S)-3-[(2-methylpropan-2-yl)oxy]pent-1-yne
CID 134890457
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
3-ethyl-5,5-dimethylhexan-1-amine
CID 83682161

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine (CID 43368459) is 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine is CCC(CCN)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The InChIKey is JHKQAXWCYRTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(6-7-10)11-9(2,3)4/h8H,5-7,10H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
3-[(2-methylpropan-2-yl)oxy]pentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]pentan-1-amine is sourced from PubChem (CID 43368459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).