1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine

C18H28N2O — CID 79233197

IUPAC1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(CN)(N(C)CC1CCC1)CCC2
InChIInChI=1S/C18H28N2O/c1-20(12-14-5-3-6-14)18(13-19)10-4-7-15-8-9-16(21-2)11-17(15)18/h8-9,11,14H,3-7,10,12-13,19H2,1-2H3
InChIKeyGZKFLHPZWOEEFZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.92
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79233197) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79233197
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(CN)(N(C)CC1CCC1)CCC2
InChIInChI=1S/C18H28N2O/c1-20(12-14-5-3-6-14)18(13-19)10-4-7-15-8-9-16(21-2)11-17(15)18/h8-9,11,14H,3-7,10,12-13,19H2,1-2H3
InChIKeyGZKFLHPZWOEEFZ-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 79233197) is 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(CN)(N(C)CC1CCC1)CCC2.
What is the InChIKey of 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is GZKFLHPZWOEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(12-14-5-3-6-14)18(13-19)10-4-7-15-8-9-16(21-2)11-17(15)18/h8-9,11,14H,3-7,10,12-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79233197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).