N,N-dibutyl-4-methyloxan-2-amine

C14H29NO — CID 12040644

IUPACN,N-dibutyl-4-methyloxan-2-amine
SMILESCCCCN(CCCC)C1CC(C)CCO1
InChIInChI=1S/C14H29NO/c1-4-6-9-15(10-7-5-2)14-12-13(3)8-11-16-14/h13-14H,4-12H2,1-3H3
InChIKeyBMMGQYYLZIVZIY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.66
Rot. Bonds7

About N,N-dibutyl-4-methyloxan-2-amine

N,N-dibutyl-4-methyloxan-2-amine (PubChem CID 12040644) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N-dibutyl-4-methyloxan-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-4-methyloxan-2-amine
PubChem CID12040644
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N-dibutyl-4-methyloxan-2-amine
SMILESCCCCN(CCCC)C1CC(C)CCO1
InChIInChI=1S/C14H29NO/c1-4-6-9-15(10-7-5-2)14-12-13(3)8-11-16-14/h13-14H,4-12H2,1-3H3
InChIKeyBMMGQYYLZIVZIY-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-methyloxan-2-amine?
The IUPAC name of N,N-dibutyl-4-methyloxan-2-amine (CID 12040644) is N,N-dibutyl-4-methyloxan-2-amine.
What is the SMILES notation for N,N-dibutyl-4-methyloxan-2-amine?
The canonical SMILES for N,N-dibutyl-4-methyloxan-2-amine is CCCCN(CCCC)C1CC(C)CCO1.
What is the InChIKey of N,N-dibutyl-4-methyloxan-2-amine?
The InChIKey is BMMGQYYLZIVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-9-15(10-7-5-2)14-12-13(3)8-11-16-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-4-methyloxan-2-amine?
N,N-dibutyl-4-methyloxan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-methyloxan-2-amine is sourced from PubChem (CID 12040644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).