5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

C19H32N2 — CID 63469910

IUPAC5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCNC1c2ccccc2CCCC1N(C)C(C)C(C)C
InChIInChI=1S/C19H32N2/c1-6-20-19-17-12-8-7-10-16(17)11-9-13-18(19)21(5)15(4)14(2)3/h7-8,10,12,14-15,18-20H,6,9,11,13H2,1-5H3
InChIKeyFOMBPEUQBHTJAJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds5

About 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (PubChem CID 63469910) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.

Molecular Properties

Compound Name5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
PubChem CID63469910
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCNC1c2ccccc2CCCC1N(C)C(C)C(C)C
InChIInChI=1S/C19H32N2/c1-6-20-19-17-12-8-7-10-16(17)11-9-13-18(19)21(5)15(4)14(2)3/h7-8,10,12,14-15,18-20H,6,9,11,13H2,1-5H3
InChIKeyFOMBPEUQBHTJAJ-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine with MolForge

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Related Compounds

2-N-methyl-2-N-(3-methylbutan-2-yl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63469194
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
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
6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43272852
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403421
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
3-[[5-(ethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]sulfanyl]propan-1-ol
CID 66128577
N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-N-methyl-2-N-(2-methylbutyl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63467737
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The IUPAC name of 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (CID 63469910) is 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.
What is the SMILES notation for 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The canonical SMILES for 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is CCNC1c2ccccc2CCCC1N(C)C(C)C(C)C.
What is the InChIKey of 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The InChIKey is FOMBPEUQBHTJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-20-19-17-12-8-7-10-16(17)11-9-13-18(19)21(5)15(4)14(2)3/h7-8,10,12,14-15,18-20H,6,9,11,13H2,1-5H3.
What are the key properties of 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is sourced from PubChem (CID 63469910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).