5-methyl-1-(oxolan-3-yl)hexan-2-amine

C11H23NO — CID 103986842

IUPAC5-methyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCC(C)CCC(N)CC1CCOC1
InChIInChI=1S/C11H23NO/c1-9(2)3-4-11(12)7-10-5-6-13-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeyMKZBTGFYXBYZDW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds5

About 5-methyl-1-(oxolan-3-yl)hexan-2-amine

5-methyl-1-(oxolan-3-yl)hexan-2-amine (PubChem CID 103986842) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-3-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-3-yl)hexan-2-amine
PubChem CID103986842
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-methyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCC(C)CCC(N)CC1CCOC1
InChIInChI=1S/C11H23NO/c1-9(2)3-4-11(12)7-10-5-6-13-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeyMKZBTGFYXBYZDW-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661
1-(oxolan-3-yl)butane-2,3-diamine
CID 126685843
4-amino-5-(oxolan-3-yl)pentanoic acid
CID 62961692
5-ethylsulfonyl-1-(oxolan-3-yl)pentan-2-amine
CID 103986638
1-(oxolan-3-yl)non-8-en-2-amine
CID 107009635
6,6,6-trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
CID 68708714
4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103986756
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(oxan-3-yl)propan-2-amine
CID 63737520
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-3-yl)hexan-2-amine?
The IUPAC name of 5-methyl-1-(oxolan-3-yl)hexan-2-amine (CID 103986842) is 5-methyl-1-(oxolan-3-yl)hexan-2-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-3-yl)hexan-2-amine?
The canonical SMILES for 5-methyl-1-(oxolan-3-yl)hexan-2-amine is CC(C)CCC(N)CC1CCOC1.
What is the InChIKey of 5-methyl-1-(oxolan-3-yl)hexan-2-amine?
The InChIKey is MKZBTGFYXBYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)3-4-11(12)7-10-5-6-13-8-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 5-methyl-1-(oxolan-3-yl)hexan-2-amine?
5-methyl-1-(oxolan-3-yl)hexan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-3-yl)hexan-2-amine is sourced from PubChem (CID 103986842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).