N-butan-2-yl-N-methyloxan-4-amine

C10H21NO — CID 123260376

IUPACN-butan-2-yl-N-methyloxan-4-amine
SMILESCCC(C)N(C)C1CCOCC1
InChIInChI=1S/C10H21NO/c1-4-9(2)11(3)10-5-7-12-8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyYKQCWVBVVWLPAO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds3

About N-butan-2-yl-N-methyloxan-4-amine

N-butan-2-yl-N-methyloxan-4-amine (PubChem CID 123260376) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butan-2-yl-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyloxan-4-amine
PubChem CID123260376
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butan-2-yl-N-methyloxan-4-amine
SMILESCCC(C)N(C)C1CCOCC1
InChIInChI=1S/C10H21NO/c1-4-9(2)11(3)10-5-7-12-8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyYKQCWVBVVWLPAO-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyloxan-4-amine?
The IUPAC name of N-butan-2-yl-N-methyloxan-4-amine (CID 123260376) is N-butan-2-yl-N-methyloxan-4-amine.
What is the SMILES notation for N-butan-2-yl-N-methyloxan-4-amine?
The canonical SMILES for N-butan-2-yl-N-methyloxan-4-amine is CCC(C)N(C)C1CCOCC1.
What is the InChIKey of N-butan-2-yl-N-methyloxan-4-amine?
The InChIKey is YKQCWVBVVWLPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-9(2)11(3)10-5-7-12-8-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyloxan-4-amine?
N-butan-2-yl-N-methyloxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyloxan-4-amine is sourced from PubChem (CID 123260376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).