N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine

C12H25NO — CID 62905014

IUPACN-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
SMILESCNCC1(CCC(C)C)CCOCC1
InChIInChI=1S/C12H25NO/c1-11(2)4-5-12(10-13-3)6-8-14-9-7-12/h11,13H,4-10H2,1-3H3
InChIKeyHBZJCDMTFBYXBB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine

N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine (PubChem CID 62905014) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
PubChem CID62905014
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
SMILESCNCC1(CCC(C)C)CCOCC1
InChIInChI=1S/C12H25NO/c1-11(2)4-5-12(10-13-3)6-8-14-9-7-12/h11,13H,4-10H2,1-3H3
InChIKeyHBZJCDMTFBYXBB-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
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-(3-methylbutyl)oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine (CID 62905014) is N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine is CNCC1(CCC(C)C)CCOCC1.
What is the InChIKey of N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine?
The InChIKey is HBZJCDMTFBYXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)4-5-12(10-13-3)6-8-14-9-7-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine?
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62905014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).