2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine

C20H35N — CID 142059776

IUPAC2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine
SMILESCC(C)N.CCC1Cc2ccccc2CC1C(C)(C)CC
InChIInChI=1S/C17H26.C3H9N/c1-5-13-11-14-9-7-8-10-15(14)12-16(13)17(3,4)6-2;1-3(2)4/h7-10,13,16H,5-6,11-12H2,1-4H3;3H,4H2,1-2H3
InChIKeyMDNKYEXNUUFZHF-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.22
Rot. Bonds3

About 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine

2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine (PubChem CID 142059776) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine.

Molecular Properties

Compound Name2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine
PubChem CID142059776
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine
SMILESCC(C)N.CCC1Cc2ccccc2CC1C(C)(C)CC
InChIInChI=1S/C17H26.C3H9N/c1-5-13-11-14-9-7-8-10-15(14)12-16(13)17(3,4)6-2;1-3(2)4/h7-10,13,16H,5-6,11-12H2,1-4H3;3H,4H2,1-2H3
InChIKeyMDNKYEXNUUFZHF-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine?
The IUPAC name of 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine (CID 142059776) is 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine.
What is the SMILES notation for 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine?
The canonical SMILES for 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine is CC(C)N.CCC1Cc2ccccc2CC1C(C)(C)CC.
What is the InChIKey of 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine?
The InChIKey is MDNKYEXNUUFZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C3H9N/c1-5-13-11-14-9-7-8-10-15(14)12-16(13)17(3,4)6-2;1-3(2)4/h7-10,13,16H,5-6,11-12H2,1-4H3;3H,4H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine?
2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene;propan-2-amine is sourced from PubChem (CID 142059776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).