1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine

C19H29N — CID 81422829

IUPAC1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCCCNC1C2CCc3ccccc3C2C1(CC)CC
InChIInChI=1S/C19H29N/c1-4-13-20-18-16-12-11-14-9-7-8-10-15(14)17(16)19(18,5-2)6-3/h7-10,16-18,20H,4-6,11-13H2,1-3H3
InChIKeySEBKHSJUDVXKRH-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.52
Rot. Bonds5

About 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine

1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (PubChem CID 81422829) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.

Molecular Properties

Compound Name1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
PubChem CID81422829
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCCCNC1C2CCc3ccccc3C2C1(CC)CC
InChIInChI=1S/C19H29N/c1-4-13-20-18-16-12-11-14-9-7-8-10-15(14)17(16)19(18,5-2)6-3/h7-10,16-18,20H,4-6,11-13H2,1-3H3
InChIKeySEBKHSJUDVXKRH-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The IUPAC name of 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (CID 81422829) is 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.
What is the SMILES notation for 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The canonical SMILES for 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is CCCNC1C2CCc3ccccc3C2C1(CC)CC.
What is the InChIKey of 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The InChIKey is SEBKHSJUDVXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-4-13-20-18-16-12-11-14-9-7-8-10-15(14)17(16)19(18,5-2)6-3/h7-10,16-18,20H,4-6,11-13H2,1-3H3.
What are the key properties of 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine has a molecular weight of 271.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is sourced from PubChem (CID 81422829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).