2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C18H28N2O — CID 107398041

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCN(CC1CCC1)C1CCc2ccc(OC)cc2C1N
InChIInChI=1S/C18H28N2O/c1-3-20(12-13-5-4-6-13)17-10-8-14-7-9-15(21-2)11-16(14)18(17)19/h7,9,11,13,17-18H,3-6,8,10,12,19H2,1-2H3
InChIKeyUZXIBZDJXPGNSZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds5

About 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 107398041) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID107398041
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCN(CC1CCC1)C1CCc2ccc(OC)cc2C1N
InChIInChI=1S/C18H28N2O/c1-3-20(12-13-5-4-6-13)17-10-8-14-7-9-15(21-2)11-16(14)18(17)19/h7,9,11,13,17-18H,3-6,8,10,12,19H2,1-2H3
InChIKeyUZXIBZDJXPGNSZ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine with MolForge

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Related Compounds

2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79248139
2-N-(2-ethoxyethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79235599
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-N-(cyclopropylmethyl)-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79247986
7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 70468404
2-N-cyclohexyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374538
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 107398041) is 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCN(CC1CCC1)C1CCc2ccc(OC)cc2C1N.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is UZXIBZDJXPGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(12-13-5-4-6-13)17-10-8-14-7-9-15(21-2)11-16(14)18(17)19/h7,9,11,13,17-18H,3-6,8,10,12,19H2,1-2H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 107398041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).