4-methyl-1-(oxolan-2-yl)pentan-3-amine

C10H21NO — CID 62549638

IUPAC4-methyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCC(C)C(N)CCC1CCCO1
InChIInChI=1S/C10H21NO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h8-10H,3-7,11H2,1-2H3
InChIKeyLQLXMWDTXBUNDK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 4-methyl-1-(oxolan-2-yl)pentan-3-amine

4-methyl-1-(oxolan-2-yl)pentan-3-amine (PubChem CID 62549638) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-yl)pentan-3-amine
PubChem CID62549638
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCC(C)C(N)CCC1CCCO1
InChIInChI=1S/C10H21NO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h8-10H,3-7,11H2,1-2H3
InChIKeyLQLXMWDTXBUNDK-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Methylpropyl)oxan-4-amine
CID 64104920
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
2-(2-Methylpropyl)oxan-3-amine hydrochloride
CID 75423686
3-(5,5-Dimethyloxolan-2-yl)propan-1-amine
CID 116522783
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
1,1,1-Trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312041
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
4,4,4-Trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
CID 104992980
5,5,5-Trifluoro-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105024270
5,5,5-Trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
CID 105024352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 4-methyl-1-(oxolan-2-yl)pentan-3-amine (CID 62549638) is 4-methyl-1-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 4-methyl-1-(oxolan-2-yl)pentan-3-amine is CC(C)C(N)CCC1CCCO1.
What is the InChIKey of 4-methyl-1-(oxolan-2-yl)pentan-3-amine?
The InChIKey is LQLXMWDTXBUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-2-yl)pentan-3-amine?
4-methyl-1-(oxolan-2-yl)pentan-3-amine has a molecular weight of 171.28 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 4-methyl-1-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 62549638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).