N-methyl-1-(4-methyloxan-4-yl)methanamine

C8H17NO — CID 62906428

IUPACN-methyl-1-(4-methyloxan-4-yl)methanamine
SMILESCNCC1(C)CCOCC1
InChIInChI=1S/C8H17NO/c1-8(7-9-2)3-5-10-6-4-8/h9H,3-7H2,1-2H3
InChIKeyWMHFFZPPNRQGET-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds2

About N-methyl-1-(4-methyloxan-4-yl)methanamine

N-methyl-1-(4-methyloxan-4-yl)methanamine (PubChem CID 62906428) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-1-(4-methyloxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyloxan-4-yl)methanamine
PubChem CID62906428
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-1-(4-methyloxan-4-yl)methanamine
SMILESCNCC1(C)CCOCC1
InChIInChI=1S/C8H17NO/c1-8(7-9-2)3-5-10-6-4-8/h9H,3-7H2,1-2H3
InChIKeyWMHFFZPPNRQGET-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyloxan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyloxan-4-yl)methanamine (CID 62906428) is N-methyl-1-(4-methyloxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyloxan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyloxan-4-yl)methanamine is CNCC1(C)CCOCC1.
What is the InChIKey of N-methyl-1-(4-methyloxan-4-yl)methanamine?
The InChIKey is WMHFFZPPNRQGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(7-9-2)3-5-10-6-4-8/h9H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyloxan-4-yl)methanamine?
N-methyl-1-(4-methyloxan-4-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyloxan-4-yl)methanamine is sourced from PubChem (CID 62906428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).