N,N-dimethyl-1-(oxan-4-yl)methanamine

C8H17NO — CID 58118759

IUPACN,N-dimethyl-1-(oxan-4-yl)methanamine
SMILESCN(C)CC1CCOCC1
InChIInChI=1S/C8H17NO/c1-9(2)7-8-3-5-10-6-4-8/h8H,3-7H2,1-2H3
InChIKeyTXGLVUBZSVPPJO-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.97
Rot. Bonds2

About N,N-dimethyl-1-(oxan-4-yl)methanamine

N,N-dimethyl-1-(oxan-4-yl)methanamine (PubChem CID 58118759) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxan-4-yl)methanamine
PubChem CID58118759
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN,N-dimethyl-1-(oxan-4-yl)methanamine
SMILESCN(C)CC1CCOCC1
InChIInChI=1S/C8H17NO/c1-9(2)7-8-3-5-10-6-4-8/h8H,3-7H2,1-2H3
InChIKeyTXGLVUBZSVPPJO-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(oxan-4-yl)methanamine (CID 58118759) is N,N-dimethyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(oxan-4-yl)methanamine is CN(C)CC1CCOCC1.
What is the InChIKey of N,N-dimethyl-1-(oxan-4-yl)methanamine?
The InChIKey is TXGLVUBZSVPPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-9(2)7-8-3-5-10-6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(oxan-4-yl)methanamine?
N,N-dimethyl-1-(oxan-4-yl)methanamine has a molecular weight of 143.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 58118759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).