N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine

C11H23NO — CID 79364803

IUPACN-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1CC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-11-10(8-12-3)5-4-6-13-11/h9-12H,4-8H2,1-3H3
InChIKeyDPQDERKGTVGKEQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine

N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine (PubChem CID 79364803) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
PubChem CID79364803
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1CC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-11-10(8-12-3)5-4-6-13-11/h9-12H,4-8H2,1-3H3
InChIKeyDPQDERKGTVGKEQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine
CID 79368608
2-methyl-N-[[2-(2-methylpropyl)oxan-3-yl]methyl]propan-1-amine
CID 79365214
N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine
CID 79365896
N-methyl-1-[2-(2-methylpropyl)cyclopentyl]methanamine
CID 81033789
2-(2-methylpropyl)oxan-3-amine;hydrochloride
CID 75423686
1-(2-hexyloxan-3-yl)-N-methylmethanamine
CID 79365540
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
1-(2-cyclopropyloxan-3-yl)-N-methylmethanamine
CID 79365541
3-ethyl-2-(2-methylpropyl)oxolane
CID 177048891
2-methyl-3-(2-methylpropyl)oxane
CID 67691431
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine (CID 79364803) is N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine is CNCC1CCCOC1CC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine?
The InChIKey is DPQDERKGTVGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-11-10(8-12-3)5-4-6-13-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine?
N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine is sourced from PubChem (CID 79364803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).