N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine

C19H37N — CID 123222259

IUPACN-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine
SMILESCCC=C(C)C(C)C(C(C)CN(C)CC)C1(C)CCC1
InChIInChI=1S/C19H37N/c1-8-11-15(3)17(5)18(19(6)12-10-13-19)16(4)14-20(7)9-2/h11,16-18H,8-10,12-14H2,1-7H3
InChIKeyNZLCURUIKVVHDI-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.37
Rot. Bonds8

About N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine

N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine (PubChem CID 123222259) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine
PubChem CID123222259
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine
SMILESCCC=C(C)C(C)C(C(C)CN(C)CC)C1(C)CCC1
InChIInChI=1S/C19H37N/c1-8-11-15(3)17(5)18(19(6)12-10-13-19)16(4)14-20(7)9-2/h11,16-18H,8-10,12-14H2,1-7H3
InChIKeyNZLCURUIKVVHDI-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine?
The IUPAC name of N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine (CID 123222259) is N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine.
What is the SMILES notation for N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine?
The canonical SMILES for N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine is CCC=C(C)C(C)C(C(C)CN(C)CC)C1(C)CCC1.
What is the InChIKey of N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine?
The InChIKey is NZLCURUIKVVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-8-11-15(3)17(5)18(19(6)12-10-13-19)16(4)14-20(7)9-2/h11,16-18H,8-10,12-14H2,1-7H3.
What are the key properties of N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine?
N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,4,5-tetramethyl-3-(1-methylcyclobutyl)oct-5-en-1-amine is sourced from PubChem (CID 123222259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).