N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine

C18H27NO2 — CID 73333433

IUPACN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2
InChIInChI=1S/C18H27NO2/c1-6-7-10-19-13(2)15-11-14-8-9-18(3,4)21-16(14)12-17(15)20-5/h8-9,11-13,19H,6-7,10H2,1-5H3
InChIKeyBVARUCMUZAWQLP-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.33
Rot. Bonds6

About N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine

N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine (PubChem CID 73333433) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine
PubChem CID73333433
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2
InChIInChI=1S/C18H27NO2/c1-6-7-10-19-13(2)15-11-14-8-9-18(3,4)21-16(14)12-17(15)20-5/h8-9,11-13,19H,6-7,10H2,1-5H3
InChIKeyBVARUCMUZAWQLP-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine?
The IUPAC name of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine (CID 73333433) is N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine is CCCCNC(C)c1cc2c(cc1OC)OC(C)(C)C=C2.
What is the InChIKey of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine?
The InChIKey is BVARUCMUZAWQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-7-10-19-13(2)15-11-14-8-9-18(3,4)21-16(14)12-17(15)20-5/h8-9,11-13,19H,6-7,10H2,1-5H3.
What are the key properties of N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine?
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]butan-1-amine is sourced from PubChem (CID 73333433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).