4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine

C12H25NO — CID 65161981

IUPAC4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
SMILESCC(C)C(CCC1CCCO1)C(C)N
InChIInChI=1S/C12H25NO/c1-9(2)12(10(3)13)7-6-11-5-4-8-14-11/h9-12H,4-8,13H2,1-3H3
InChIKeyLJQPZDNUJXCYTG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds5

About 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine

4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine (PubChem CID 65161981) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
PubChem CID65161981
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
SMILESCC(C)C(CCC1CCCO1)C(C)N
InChIInChI=1S/C12H25NO/c1-9(2)12(10(3)13)7-6-11-5-4-8-14-11/h9-12H,4-8,13H2,1-3H3
InChIKeyLJQPZDNUJXCYTG-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine (CID 65161981) is 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine is CC(C)C(CCC1CCCO1)C(C)N.
What is the InChIKey of 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine?
The InChIKey is LJQPZDNUJXCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12(10(3)13)7-6-11-5-4-8-14-11/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine?
4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 65161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).