4-methyl-7-(oxolan-2-yl)heptan-2-amine

C12H25NO — CID 65164978

IUPAC4-methyl-7-(oxolan-2-yl)heptan-2-amine
SMILESCC(N)CC(C)CCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-10(9-11(2)13)5-3-6-12-7-4-8-14-12/h10-12H,3-9,13H2,1-2H3
InChIKeyUUNWZBXBZQEYHN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds6

About 4-methyl-7-(oxolan-2-yl)heptan-2-amine

4-methyl-7-(oxolan-2-yl)heptan-2-amine (PubChem CID 65164978) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-7-(oxolan-2-yl)heptan-2-amine.

Molecular Properties

Compound Name4-methyl-7-(oxolan-2-yl)heptan-2-amine
PubChem CID65164978
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-7-(oxolan-2-yl)heptan-2-amine
SMILESCC(N)CC(C)CCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-10(9-11(2)13)5-3-6-12-7-4-8-14-12/h10-12H,3-9,13H2,1-2H3
InChIKeyUUNWZBXBZQEYHN-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(oxolan-2-yl)heptan-2-amine?
The IUPAC name of 4-methyl-7-(oxolan-2-yl)heptan-2-amine (CID 65164978) is 4-methyl-7-(oxolan-2-yl)heptan-2-amine.
What is the SMILES notation for 4-methyl-7-(oxolan-2-yl)heptan-2-amine?
The canonical SMILES for 4-methyl-7-(oxolan-2-yl)heptan-2-amine is CC(N)CC(C)CCCC1CCCO1.
What is the InChIKey of 4-methyl-7-(oxolan-2-yl)heptan-2-amine?
The InChIKey is UUNWZBXBZQEYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(9-11(2)13)5-3-6-12-7-4-8-14-12/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 4-methyl-7-(oxolan-2-yl)heptan-2-amine?
4-methyl-7-(oxolan-2-yl)heptan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(oxolan-2-yl)heptan-2-amine is sourced from PubChem (CID 65164978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).