N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine

C10H21NO — CID 139541923

IUPACN-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine
SMILESCCCC1C[C@H](C)C(CNC)O1
InChIInChI=1S/C10H21NO/c1-4-5-9-6-8(2)10(12-9)7-11-3/h8-11H,4-7H2,1-3H3/t8-,9?,10?/m0/s1
InChIKeyUPTGLMFNABWFRV-IDKOKCKLSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine

N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine (PubChem CID 139541923) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine
PubChem CID139541923
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine
SMILESCCCC1C[C@H](C)C(CNC)O1
InChIInChI=1S/C10H21NO/c1-4-5-9-6-8(2)10(12-9)7-11-3/h8-11H,4-7H2,1-3H3/t8-,9?,10?/m0/s1
InChIKeyUPTGLMFNABWFRV-IDKOKCKLSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 104992739
4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
CID 104992740
N-ethyl-4,4,4-trifluoro-1-(3-methyloxolan-2-yl)butan-1-amine
CID 104992792
5,5,5-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105024010
5,5,5-trifluoro-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 113672060
N-ethyl-5,5,5-trifluoro-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 113672072
2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 114224850
2-(3,3-difluorocyclohexyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 114225819
2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 114899404

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine (CID 139541923) is N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine is CCCC1C[C@H](C)C(CNC)O1.
What is the InChIKey of N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine?
The InChIKey is UPTGLMFNABWFRV-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-9-6-8(2)10(12-9)7-11-3/h8-11H,4-7H2,1-3H3/t8-,9?,10?/m0/s1.
What are the key properties of N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine?
N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-3-methyl-5-propyloxolan-2-yl]methanamine is sourced from PubChem (CID 139541923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).