2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine

C13H27NO — CID 105017391

IUPAC2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(C(C)CC)C1OCCC1C
InChIInChI=1S/C13H27NO/c1-5-8-14-12(10(3)6-2)13-11(4)7-9-15-13/h10-14H,5-9H2,1-4H3
InChIKeyISGQVLPUEIBNBB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine

2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 105017391) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
PubChem CID105017391
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(C(C)CC)C1OCCC1C
InChIInChI=1S/C13H27NO/c1-5-8-14-12(10(3)6-2)13-11(4)7-9-15-13/h10-14H,5-9H2,1-4H3
InChIKeyISGQVLPUEIBNBB-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

[2-methyl-1-(3-methyloxolan-2-yl)butyl]hydrazine
CID 105325836
N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 107893426
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 105028143
N-[2-methoxy-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105008827
N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855860
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)butan-1-amine
CID 105017515
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
CID 112681381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine (CID 105017391) is 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine is CCCNC(C(C)CC)C1OCCC1C.
What is the InChIKey of 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is ISGQVLPUEIBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-14-12(10(3)6-2)13-11(4)7-9-15-13/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-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 2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105017391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).