N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine

C12H25NO — CID 103138192

IUPACN-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine
SMILESCCCC(CNC)CC1CCC(C)O1
InChIInChI=1S/C12H25NO/c1-4-5-11(9-13-3)8-12-7-6-10(2)14-12/h10-13H,4-9H2,1-3H3
InChIKeyWFAHJLHXKIODQV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine

N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine (PubChem CID 103138192) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine
PubChem CID103138192
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine
SMILESCCCC(CNC)CC1CCC(C)O1
InChIInChI=1S/C12H25NO/c1-4-5-11(9-13-3)8-12-7-6-10(2)14-12/h10-13H,4-9H2,1-3H3
InChIKeyWFAHJLHXKIODQV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138163
N-methyl-2-(oxan-4-ylmethyl)pentan-1-amine
CID 62528116
2-[2-(bromomethyl)butyl]-5-methyloxolane
CID 103142666
N-methyl-3-[(5-methyloxolan-2-yl)methyl]pentan-2-amine
CID 103135831
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
N,4-dimethyl-5-(5-methyloxolan-2-yl)pentan-2-amine
CID 103131886
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
CID 103131770
7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine
CID 126554886
tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
CID 106508878
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103139099

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine?
The IUPAC name of N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine (CID 103138192) is N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine?
The canonical SMILES for N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine is CCCC(CNC)CC1CCC(C)O1.
What is the InChIKey of N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine?
The InChIKey is WFAHJLHXKIODQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-11(9-13-3)8-12-7-6-10(2)14-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine?
N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 103138192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).