N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H31NO — CID 103034577

IUPACN-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1c2ccccc2CCCC1CCC(C)(C)OC
InChIInChI=1S/C19H31NO/c1-5-20-18-16(13-14-19(2,3)21-4)11-8-10-15-9-6-7-12-17(15)18/h6-7,9,12,16,18,20H,5,8,10-11,13-14H2,1-4H3
InChIKeyKWVNZOCLXQAPMU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds6

About N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 103034577) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID103034577
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1c2ccccc2CCCC1CCC(C)(C)OC
InChIInChI=1S/C19H31NO/c1-5-20-18-16(13-14-19(2,3)21-4)11-8-10-15-9-6-7-12-17(15)18/h6-7,9,12,16,18,20H,5,8,10-11,13-14H2,1-4H3
InChIKeyKWVNZOCLXQAPMU-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665345
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403421
N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
6-hexyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403821
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-methyl-6-(2-propylsulfonylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106727212
N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 103035014
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63773845

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 103034577) is N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCNC1c2ccccc2CCCC1CCC(C)(C)OC.
What is the InChIKey of N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is KWVNZOCLXQAPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-18-16(13-14-19(2,3)21-4)11-8-10-15-9-6-7-12-17(15)18/h6-7,9,12,16,18,20H,5,8,10-11,13-14H2,1-4H3.
What are the key properties of N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 103034577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).