4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine

C13H27NO — CID 115892028

IUPAC4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
SMILESCCC(C)CC(C)NC(C)C1CCOC1
InChIInChI=1S/C13H27NO/c1-5-10(2)8-11(3)14-12(4)13-6-7-15-9-13/h10-14H,5-9H2,1-4H3
InChIKeyAKBQVSDWMWBJMB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine

4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine (PubChem CID 115892028) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
PubChem CID115892028
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
SMILESCCC(C)CC(C)NC(C)C1CCOC1
InChIInChI=1S/C13H27NO/c1-5-10(2)8-11(3)14-12(4)13-6-7-15-9-13/h10-14H,5-9H2,1-4H3
InChIKeyAKBQVSDWMWBJMB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
3-butan-2-yloxolane;ethane
CID 143988733
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine?
The IUPAC name of 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine (CID 115892028) is 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine?
The canonical SMILES for 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine is CCC(C)CC(C)NC(C)C1CCOC1.
What is the InChIKey of 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine?
The InChIKey is AKBQVSDWMWBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-10(2)8-11(3)14-12(4)13-6-7-15-9-13/h10-14H,5-9H2,1-4H3.
What are the key properties of 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine?
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 115892028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).