(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine

C20H37N — CID 174325024

IUPAC(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine
SMILESCCC(C)C/C(=C\C=C(\C)N)C1C(CC)C(C)(C)C1(C)C
InChIInChI=1S/C20H37N/c1-9-14(3)13-16(12-11-15(4)21)18-17(10-2)19(5,6)20(18,7)8/h11-12,14,17-18H,9-10,13,21H2,1-8H3/b15-11-,16-12+
InChIKeyMISPLPFFBPPRIJ-UKVBVZPVSA-N
MW291.52 g/mol
LogP5.92
Rot. Bonds6

About (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine

(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine (PubChem CID 174325024) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine
PubChem CID174325024
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine
SMILESCCC(C)C/C(=C\C=C(\C)N)C1C(CC)C(C)(C)C1(C)C
InChIInChI=1S/C20H37N/c1-9-14(3)13-16(12-11-15(4)21)18-17(10-2)19(5,6)20(18,7)8/h11-12,14,17-18H,9-10,13,21H2,1-8H3/b15-11-,16-12+
InChIKeyMISPLPFFBPPRIJ-UKVBVZPVSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,6-dimethyloct-3-en-2-ol
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3-ethylcyclopropane-1,1,2-triamine
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5-ethylidene-3,7-dimethyldecane
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4-methyl-2-methylidenehexanamide
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3-ethyl-5-methylhept-2-ene
CID 90962982
4,7-dimethylnonan-2-imine
CID 123346808
(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
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CID 130457051

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine (CID 174325024) is (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine is CCC(C)C/C(=C\C=C(\C)N)C1C(CC)C(C)(C)C1(C)C.
What is the InChIKey of (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine?
The InChIKey is MISPLPFFBPPRIJ-UKVBVZPVSA-N. The full InChI is InChI=1S/C20H37N/c1-9-14(3)13-16(12-11-15(4)21)18-17(10-2)19(5,6)20(18,7)8/h11-12,14,17-18H,9-10,13,21H2,1-8H3/b15-11-,16-12+.
What are the key properties of (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine?
(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine has a molecular weight of 291.52 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine is sourced from PubChem (CID 174325024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).