N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine

C15H23NO — CID 134794605

IUPACN-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CCN(C)C1CCOc2ccccc21
InChIInChI=1S/C15H23NO/c1-12(2)8-10-16(3)14-9-11-17-15-7-5-4-6-13(14)15/h4-7,12,14H,8-11H2,1-3H3
InChIKeyJZSCLACFHWMQHB-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine

N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 134794605) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID134794605
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CCN(C)C1CCOc2ccccc21
InChIInChI=1S/C15H23NO/c1-12(2)8-10-16(3)14-9-11-17-15-7-5-4-6-13(14)15/h4-7,12,14H,8-11H2,1-3H3
InChIKeyJZSCLACFHWMQHB-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine (CID 134794605) is N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)CCN(C)C1CCOc2ccccc21.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JZSCLACFHWMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)8-10-16(3)14-9-11-17-15-7-5-4-6-13(14)15/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 134794605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).