N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine

C11H21NO — CID 62064712

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC1CCC=CO1
InChIInChI=1S/C11H21NO/c1-9(2)10(3)12-8-11-6-4-5-7-13-11/h5,7,9-12H,4,6,8H2,1-3H3
InChIKeyNMXZNUHZACXONO-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.31
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine (PubChem CID 62064712) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine
PubChem CID62064712
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC1CCC=CO1
InChIInChI=1S/C11H21NO/c1-9(2)10(3)12-8-11-6-4-5-7-13-11/h5,7,9-12H,4,6,8H2,1-3H3
InChIKeyNMXZNUHZACXONO-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine (CID 62064712) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine is CC(C)C(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine?
The InChIKey is NMXZNUHZACXONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10(3)12-8-11-6-4-5-7-13-11/h5,7,9-12H,4,6,8H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine has a molecular weight of 183.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 62064712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).