4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine

C14H29NO — CID 115834351

IUPAC4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1CCC(C)O1
InChIInChI=1S/C14H29NO/c1-5-10-15-13(8-6-11(2)3)14-9-7-12(4)16-14/h11-15H,5-10H2,1-4H3
InChIKeyJVEGIPZLHFLVMT-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine

4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 115834351) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
PubChem CID115834351
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1CCC(C)O1
InChIInChI=1S/C14H29NO/c1-5-10-15-13(8-6-11(2)3)14-9-7-12(4)16-14/h11-15H,5-10H2,1-4H3
InChIKeyJVEGIPZLHFLVMT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105054940
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844239
N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
CID 115835493
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
N-[1-(5-methyloxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104999639
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105000367
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine (CID 115834351) is 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)C)C1CCC(C)O1.
What is the InChIKey of 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is JVEGIPZLHFLVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-10-15-13(8-6-11(2)3)14-9-7-12(4)16-14/h11-15H,5-10H2,1-4H3.
What are the key properties of 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine?
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 115834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).